1-[(2,4-dichlorophenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2,4-dichlorophenyl)methyl]isonipecotic acid Formula: C28H29Cl2NO5 MolecularWeight: 530.43956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=C(C=C(C=C3)Cl)Cl)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=C(C=C(C=C3)Cl)Cl)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C28H29Cl2NO5/c1-34-24-14-20(15-25(35-2)27(24)36-17-18-6-4-3-5-7-18)26(22-9-8-21(29)16-23(22)30)31-12-10-19(11-13-31)28(32)33/h3-9,14-16,19,26H,10-13,17H2,1-2H3,(H,32,33)