[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C20H20N2O3/c1-4-22-13(2)11-16(14(22)3)19(23)12-25-20(24)18-10-9-15-7-5-6-8-17(15)21-18/h5-11H,4,12H2,1-3H3