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

Systemtic Name: [2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H22N2O4/c1-14-12-17(15(2)23(14)10-11-26-3)20(24)13-27-21(25)19-9-8-16-6-4-5-7-18(16)22-19/h4-9,12H,10-11,13H2,1-3H3