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

Systemtic Name: [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-11-17(21(26)27-4)12(2)22-18(11)19(24)13(3)28-20(25)16-10-9-14-7-5-6-8-15(14)23-16/h5-10,13,22H,1-4H3