ethyl 4-[(2-cyclohexyl-3-oxidanylidene-1H-pyrrolo[3,4-b]quinolin-9-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(2-cyclohexyl-3-oxidanylidene-1H-pyrrolo[3,4-b]quinolin-9-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]benzoate CAS Name: 4-[[(2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinolin-9-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]benzoate Traditional Name: 4-[(2-cyclohexyl-3-keto-1H-pyrrolo[3,4-b]quinoline-9-carbonyl)amino]benzoic acid ethyl ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C3CN(C(=O)C3=NC4=CC=CC=C42)C5CCCCC5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C3CN(C(=O)C3=NC4=CC=CC=C42)C5CCCCC5

InChI

InChI=1S/C27H27N3O4/c1-2-34-27(33)17-12-14-18(15-13-17)28-25(31)23-20-10-6-7-11-22(20)29-24-21(23)16-30(26(24)32)19-8-4-3-5-9-19/h6-7,10-15,19H,2-5,8-9,16H2,1H3,(H,28,31)