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

Systemtic Name: 1-[(2,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,5-dimethylphenyl)-(o-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,5-dimethylphenyl)-(2-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,5-dimethylphenyl)-(o-tolyl)methyl]nipecotic acid Formula: C22H27NO2 MolecularWeight: 337.45528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CC=CC=C2C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CC=CC=C2C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C22H27NO2/c1-15-10-11-17(3)20(13-15)21(19-9-5-4-7-16(19)2)23-12-6-8-18(14-23)22(24)25/h4-5,7,9-11,13,18,21H,6,8,12,14H2,1-3H3,(H,24,25)