1-[(2,6-dimethoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,6-dimethoxyphenyl)-(m-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(3-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,6-dimethoxyphenyl)-(m-tolyl)methyl]nipecotic acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=C(C=CC=C2OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=C(C=CC=C2OC)OC)N3CCCC(C3)C(=O)O

InChI

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