1-[(4-phenylphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-phenylphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-phenylphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-phenylphenyl)-(2,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[asaryl-(4-phenylphenyl)methyl]isonipecotic acid Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCC(CC4)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCC(CC4)C(=O)O)OC)OC

InChI

InChI=1S/C28H31NO5/c1-32-24-18-26(34-3)25(33-2)17-23(24)27(29-15-13-22(14-16-29)28(30)31)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-12,17-18,22,27H,13-16H2,1-3H3,(H,30,31)