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

Systemtic Name: 1-[(4-phenylphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-phenylphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-phenylphenyl)-(2,3,4-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-phenylphenyl)-(2,3,4-trimethoxyphenyl)methyl]nipecotic acid Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O)OC)OC

InChI

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