[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propyl 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxobutan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid 1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propyl ester Formula: C29H25ClN2O6 MolecularWeight: 532.9716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H25ClN2O6/c1-3-22(27(33)31-19-12-13-23-24(16-19)37-15-14-36-23)38-29(35)26-25(17-8-10-18(30)11-9-17)20-6-4-5-7-21(20)28(34)32(26)2/h4-13,16,22H,3,14-15H2,1-2H3,(H,31,33)