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

Systemtic Name: 1-[(2,4-dimethylphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dimethylphenyl)-(m-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dimethylphenyl)-(3-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethylphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dimethylphenyl)-(m-tolyl)methyl]nipecotic acid Formula: C22H27NO2 MolecularWeight: 337.45528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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