[3-(1,3-dihydropyrrolo[3,4-b]quinolin-2-ylcarbonyl)-5-ethyl-4-methanoyl-6-oxidanylidene-2H-pyran-5-yl] benzoate

Systemtic Name: [3-(1,3-dihydropyrrolo[3,4-b]quinolin-2-ylcarbonyl)-5-ethyl-4-methanoyl-6-oxidanylidene-2H-pyran-5-yl] benzoate Openeye Name: [3-(1,3-dihydropyrrolo[3,4-b]quinoline-2-carbonyl)-5-ethyl-4-formyl-6-oxo-2H-pyran-5-yl] benzoate CAS Name: benzoic acid [3-[1,3-dihydropyrrolo[3,4-b]quinolin-2-yl(oxo)methyl]-5-ethyl-4-formyl-6-oxo-2H-pyran-5-yl] ester IUPAC Name: [3-(1,3-dihydropyrrolo[3,4-b]quinoline-2-carbonyl)-5-ethyl-4-formyl-6-oxo-2H-pyran-5-yl] benzoate Traditional Name: benzoic acid [3-(1,3-dihydropyrrolo[3,4-b]quinoline-2-carbonyl)-5-ethyl-4-formyl-6-keto-2H-pyran-5-yl] ester Formula: C27H22N2O6 MolecularWeight: 470.47338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=C(COC1=O)C(=O)N2CC3=CC4=CC=CC=C4N=C3C2)C=O)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CCC1(C(=C(COC1=O)C(=O)N2CC3=CC4=CC=CC=C4N=C3C2)C=O)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H22N2O6/c1-2-27(35-25(32)17-8-4-3-5-9-17)21(15-30)20(16-34-26(27)33)24(31)29-13-19-12-18-10-6-7-11-22(18)28-23(19)14-29/h3-12,15H,2,13-14,16H2,1H3