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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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