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

Systemtic Name: 1-[(3-ethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-ethoxyphenyl)-(o-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)-(2-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[m-phenetyl(o-tolyl)methyl]isonipecotic acid Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC=CC=C2C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC=CC=C2C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H27NO3/c1-3-26-19-9-6-8-18(15-19)21(20-10-5-4-7-16(20)2)23-13-11-17(12-14-23)22(24)25/h4-10,15,17,21H,3,11-14H2,1-2H3,(H,24,25)