1-(3,4-diethoxyphenyl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(3,4-diethoxyphenyl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid Traditional Name: 1-(3,4-diethoxybenzoyl)isonipecotic acid Formula: C17H23NO5 MolecularWeight: 321.36822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)O)OCC

InChI

InChI=1S/C17H23NO5/c1-3-22-14-6-5-13(11-15(14)23-4-2)16(19)18-9-7-12(8-10-18)17(20)21/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,20,21)