methyl 4-(3,5-dimethoxy-4-methyl-phenyl)-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-oxidanyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: methyl 4-(3,5-dimethoxy-4-methyl-phenyl)-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-oxidanyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 2-[4-(tert-butoxycarbonylamino)phenyl]-4-(3,5-dimethoxy-4-methyl-phenyl)-7-hydroxy-6-methoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3,5-dimethoxy-4-methylphenyl)-7-hydroxy-6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3,5-dimethoxy-4-methylphenyl)-7-hydroxy-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1-oxoisoquinoline-3-carboxylate Traditional Name: 2-[4-(tert-butoxycarbonylamino)phenyl]-4-(3,5-dimethoxy-4-methyl-phenyl)-7-hydroxy-1-keto-6-methoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C32H34N2O9 MolecularWeight: 590.62036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)O)C4=CC=C(C=C4)NC(=O)OC(C)(C)C)C(=O)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)O)C4=CC=C(C=C4)NC(=O)OC(C)(C)C)C(=O)OC)OC

InChI

InChI=1S/C32H34N2O9/c1-17-24(39-5)13-18(14-25(17)40-6)27-21-16-26(41-7)23(35)15-22(21)29(36)34(28(27)30(37)42-8)20-11-9-19(10-12-20)33-31(38)43-32(2,3)4/h9-16,35H,1-8H3,(H,33,38)