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

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20N2O3/c1-13-11-17(14(2)23(13)16-8-9-16)20(24)12-26-21(25)19-10-7-15-5-3-4-6-18(15)22-19/h3-7,10-11,16H,8-9,12H2,1-2H3