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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CC(=C2)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=CC(=C2)C)N3CCCC(C3)C(=O)O

InChI

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