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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(m-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(3-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(m-tolyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O)OCC

Isomeric SMILES

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

InChI

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