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

Systemtic Name: 1-[(4-ethylphenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-ethylphenyl)-(m-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-ethylphenyl)-(3-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethylphenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-ethylphenyl)-(m-tolyl)methyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=CC(=C2)C)N3CCC(CC3)C(=O)O

InChI

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