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

Systemtic Name: methyl 4-(4-bromanyl-3,5-dimethoxy-phenyl)-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1-oxidanylidene-7-phenylmethoxy-isoquinoline-3-carboxylate Openeye Name: methyl 7-benzyloxy-4-(4-bromo-3,5-dimethoxy-phenyl)-2-[4-(tert-butoxycarbonylamino)phenyl]-6-methoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-bromo-3,5-dimethoxyphenyl)-6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-1-oxo-7-phenylmethoxy-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromo-3,5-dimethoxyphenyl)-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1-oxo-7-phenylmethoxyisoquinoline-3-carboxylate Traditional Name: 7-benzoxy-4-(4-bromo-3,5-dimethoxy-phenyl)-2-[4-(tert-butoxycarbonylamino)phenyl]-1-keto-6-methoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C38H37BrN2O9 MolecularWeight: 745.61238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)N2C(=C(C3=CC(=C(C=C3C2=O)OCC4=CC=CC=C4)OC)C5=CC(=C(C(=C5)OC)Br)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)N2C(=C(C3=CC(=C(C=C3C2=O)OCC4=CC=CC=C4)OC)C5=CC(=C(C(=C5)OC)Br)OC)C(=O)OC

InChI

InChI=1S/C38H37BrN2O9/c1-38(2,3)50-37(44)40-24-13-15-25(16-14-24)41-34(36(43)48-7)32(23-17-30(46-5)33(39)31(18-23)47-6)26-19-28(45-4)29(20-27(26)35(41)42)49-21-22-11-9-8-10-12-22/h8-20H,21H2,1-7H3,(H,40,44)