[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-(1,3-benzodioxol-5-ylcarbamoyl)propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-(1,3-benzodioxol-5-ylcarbamoyl)propyl ester Formula: C28H24N2O6 MolecularWeight: 484.49996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

InChI

InChI=1S/C28H24N2O6/c1-3-21(26(31)29-18-13-14-22-23(15-18)35-16-34-22)36-28(33)25-24(17-9-5-4-6-10-17)19-11-7-8-12-20(19)27(32)30(25)2/h4-15,21H,3,16H2,1-2H3,(H,29,31)