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

Systemtic Name: 1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]nipecotic acid Formula: C31H29NO3 MolecularWeight: 463.56686

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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)OC5=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)OC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H29NO3/c33-31(34)27-12-8-20-32(22-27)30(25-18-16-24(17-19-25)23-9-3-1-4-10-23)26-11-7-15-29(21-26)35-28-13-5-2-6-14-28/h1-7,9-11,13-19,21,27,30H,8,12,20,22H2,(H,33,34)