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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(m-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(3-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(m-tolyl)methyl]isonipecotic acid Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4/c1-4-28-21-10-9-20(16-22(21)29-5-2)23(19-8-6-7-17(3)15-19)25-13-11-18(12-14-25)24(26)27/h6-10,15-16,18,23H,4-5,11-14H2,1-3H3,(H,26,27)