[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H18N2O5/c1-11-17(20(25)26-3)12(2)21-18(11)16(23)10-27-19(24)15-9-8-13-6-4-5-7-14(13)22-15/h4-9,21H,10H2,1-3H3