1-[(3,4-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(o-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(2-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(o-tolyl)methyl]isonipecotic acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC(=C(C=C2)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC(=C(C=C2)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H27NO4/c1-15-6-4-5-7-18(15)21(23-12-10-16(11-13-23)22(24)25)17-8-9-19(26-2)20(14-17)27-3/h4-9,14,16,21H,10-13H2,1-3H3,(H,24,25)