methyl 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C20H16N2O6 MolecularWeight: 380.35084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H16N2O6/c1-26-20(25)14-10-22(19(24)13-7-3-2-6-12(13)14)21-18(23)17-11-27-15-8-4-5-9-16(15)28-17/h2-10,17H,11H2,1H3,(H,21,23)/t17-/m0/s1