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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC=C(C=C2)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC=C(C=C2)C)N3CCCC(C3)C(=O)O

InChI

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