1-[(4-phenylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-phenylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-phenylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-phenylphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-phenylphenyl)-(3,4,5-trimethoxyphenyl)methyl]nipecotic acid Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

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