1-[(4-dimethylaminophenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(m-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(3-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(m-tolyl)methyl]nipecotic acid Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-16-6-4-7-18(14-16)21(17-9-11-20(12-10-17)23(2)3)24-13-5-8-19(15-24)22(25)26/h4,6-7,9-12,14,19,21H,5,8,13,15H2,1-3H3,(H,25,26)