1-[(3,4-dichlorophenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(2-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(3,4-dichlorophenyl)methyl]isonipecotic acid Formula: C26H25Cl2NO3 MolecularWeight: 470.3876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C26H25Cl2NO3/c27-22-11-10-20(16-23(22)28)25(29-14-12-19(13-15-29)26(30)31)21-8-4-5-9-24(21)32-17-18-6-2-1-3-7-18/h1-11,16,19,25H,12-15,17H2,(H,30,31)