1-[(3,5-dimethylphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(2,3,4-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(2,3,4-trimethoxyphenyl)methyl]isonipecotic acid Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=C(C(=C(C=C2)OC)OC)OC)N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=C(C(=C(C=C2)OC)OC)OC)N3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C24H31NO5/c1-15-12-16(2)14-18(13-15)21(25-10-8-17(9-11-25)24(26)27)19-6-7-20(28-3)23(30-5)22(19)29-4/h6-7,12-14,17,21H,8-11H2,1-5H3,(H,26,27)