1-[(3,5-dimethylphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(p-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(4-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(p-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(C2=CC(=CC(=C2)C)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO2/c1-15-6-8-18(9-7-15)21(20-12-16(2)11-17(3)13-20)23-10-4-5-19(14-23)22(24)25/h6-9,11-13,19,21H,4-5,10,14H2,1-3H3,(H,24,25)