methyl 4-(3,4-dimethoxy-5-methyl-phenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-oxidanyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: methyl 4-(3,4-dimethoxy-5-methyl-phenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-oxidanyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 2-[4-(tert-butoxycarbonylamino)phenyl]-4-(3,4-dimethoxy-5-methyl-phenyl)-7-hydroxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3,4-dimethoxy-5-methylphenyl)-7-hydroxy-2-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3,4-dimethoxy-5-methylphenyl)-7-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1-oxoisoquinoline-3-carboxylate Traditional Name: 2-[4-(tert-butoxycarbonylamino)phenyl]-4-(3,4-dimethoxy-5-methyl-phenyl)-7-hydroxy-1-keto-isoquinoline-3-carboxylic acid methyl ester Formula: C31H32N2O8 MolecularWeight: 560.59438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)O)C4=CC=C(C=C4)NC(=O)OC(C)(C)C)C(=O)OC)OC)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)O)C4=CC=C(C=C4)NC(=O)OC(C)(C)C)C(=O)OC)OC)OC

InChI

InChI=1S/C31H32N2O8/c1-17-14-18(15-24(38-5)27(17)39-6)25-22-13-12-21(34)16-23(22)28(35)33(26(25)29(36)40-7)20-10-8-19(9-11-20)32-30(37)41-31(2,3)4/h8-16,34H,1-7H3,(H,32,37)