1-[(2,5-dimethoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,5-dimethoxyphenyl)-(m-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-(3-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,5-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(=C2)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

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