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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC(=C(C=C2)OC)OC)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC(=C(C=C2)OC)OC)N3CCCCC3C(=O)O

InChI

InChI=1S/C22H27NO4/c1-15-7-6-8-16(13-15)21(23-12-5-4-9-18(23)22(24)25)17-10-11-19(26-2)20(14-17)27-3/h6-8,10-11,13-14,18,21H,4-5,9,12H2,1-3H3,(H,24,25)