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

Systemtic Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C28H26N2O5 MolecularWeight: 470.51644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C28H26N2O5/c1-5-34-28(33)25-17(3)26(29-18(25)4)24(31)15-35-27(32)21-14-23(19-12-10-16(2)11-13-19)30-22-9-7-6-8-20(21)22/h6-14,29H,5,15H2,1-4H3