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

Systemtic Name: 1-[(3,4-dichlorophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(3-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-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(=CC=C2)OCC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C(=O)O

InChI

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