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

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-oxidanyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-2-[4-(tert-butoxycarbonylamino)phenyl]-7-hydroxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-7-hydroxy-2-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-7-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-2-[4-(tert-butoxycarbonylamino)phenyl]-7-hydroxy-1-keto-isoquinoline-3-carboxylic acid methyl ester Formula: C30H29BrN2O8 MolecularWeight: 625.46386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)O)C4=CC(=C(C(=C4)Br)OC)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)O)C4=CC(=C(C(=C4)Br)OC)OC)C(=O)OC

InChI

InChI=1S/C30H29BrN2O8/c1-30(2,3)41-29(37)32-17-7-9-18(10-8-17)33-25(28(36)40-6)24(20-12-11-19(34)15-21(20)27(33)35)16-13-22(31)26(39-5)23(14-16)38-4/h7-15,34H,1-6H3,(H,32,37)