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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(p-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(4-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(p-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=C(C=C2)C)N3CCCC(C3)C(=O)O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4/c1-4-28-21-13-12-19(15-22(21)29-5-2)23(18-10-8-17(3)9-11-18)25-14-6-7-20(16-25)24(26)27/h8-13,15,20,23H,4-7,14,16H2,1-3H3,(H,26,27)