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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(2,4-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)OCC3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

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

InChI

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