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            当前地位: 澳门葡京官网 » 材料 » 化学物质数据库 » 4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-hydro

            4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-hydro

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            新萄京娱乐场老牌网址: 4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-hydroxy-,4-oxobut-2-enoic acid,Canonical SMILES: C1CN(CCC1(CC2=CC=C(C=C2)Cl)C(=O)C=C(C(=O)O)O)CC3=CC=CC=C3,InChI: InChI=1/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)
            [Synonyms]

            [Structure]
             4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-hydro

            [ Properties Computed from Structure]
            Molecular Weight413.89396 [g/mol]
            Molecular FormulaC23H24ClNO4
            XLogP3.8
            H-Bond Donor2
            H-Bond Acceptor5
            Rotatable Bond Count7
            Tautomer Count3
            Exact Mass413.139386
            MonoIsotopic Mass413.139386
            Topological Polar Surface Area77.8
            Heavy Atom Count29
            Formal Charge0
            Complexity598
            Isotope Atom Count0
            Defined Atom StereoCenter Count0
            Undefined Atom StereoCenter Count0
            Defined Bond StereoCenter Count0
            Undefined Bond StereoCenter Count1
            Covalently-Bonded Unit Count1

            [ Descriptors Computed from Structure]
            IUPAC Name: 4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-hydroxy-
            4-oxobut-2-enoic acid
            Canonical SMILES: C1CN(CCC1(CC2=CC=C(C=C2)Cl)C(=O)C=C(C(=O)O)O)CC3=CC=CC=C3
            InChI: InChI=1/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)
            10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,14,26H,10-13,15-16H2,(H,28,
            29)/f/h28H

             
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