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

Systemtic Name: 1-[(3-ethoxyphenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-ethoxyphenyl)-(m-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)-(3-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxyphenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[m-phenetyl(m-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(=C2)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

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

InChI

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