methyl 6-[(2-cyclohexyl-3-oxidanylidene-1H-pyrrolo[3,4-b]quinolin-9-yl)carbonylamino]-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 6-[(2-cyclohexyl-3-oxidanylidene-1H-pyrrolo[3,4-b]quinolin-9-yl)carbonylamino]-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 6-[(2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]-1,3-benzodioxole-5-carboxylate CAS Name: 6-[[(2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinolin-9-yl)-oxomethyl]amino]-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[(2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]-1,3-benzodioxole-5-carboxylate Traditional Name: 6-[(2-cyclohexyl-3-keto-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]-piperonylic acid methyl ester Formula: C27H25N3O6 MolecularWeight: 487.5039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1NC(=O)C3=C4CN(C(=O)C4=NC5=CC=CC=C53)C6CCCCC6)OCO2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1NC(=O)C3=C4CN(C(=O)C4=NC5=CC=CC=C53)C6CCCCC6)OCO2

InChI

InChI=1S/C27H25N3O6/c1-34-27(33)17-11-21-22(36-14-35-21)12-20(17)29-25(31)23-16-9-5-6-10-19(16)28-24-18(23)13-30(26(24)32)15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8,13-14H2,1H3,(H,29,31)