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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(2,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(3-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(2,4-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(=CC=C2)OCC3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl

InChI

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