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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)O

InChI

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