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

Systemtic Name: 1-[(2-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-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=C4OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)O

InChI

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