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

Systemtic Name: 1-[(3-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(4-phenylphenyl)methyl]nipecotic acid Formula: C32H31NO3 MolecularWeight: 477.59344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC(=CC=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC(=CC=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C32H31NO3/c34-32(35)29-14-8-20-33(22-29)31(27-18-16-26(17-19-27)25-11-5-2-6-12-25)28-13-7-15-30(21-28)36-23-24-9-3-1-4-10-24/h1-7,9-13,15-19,21,29,31H,8,14,20,22-23H2,(H,34,35)