1-[(3-ethoxy-4-methoxy-phenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(m-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-(3-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(m-tolyl)methyl]nipecotic acid Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4/c1-4-28-21-14-18(10-11-20(21)27-3)22(17-8-5-7-16(2)13-17)24-12-6-9-19(15-24)23(25)26/h5,7-8,10-11,13-14,19,22H,4,6,9,12,15H2,1-3H3,(H,25,26)