methyl 4-(4-bromanyl-3,5-dimethoxy-phenyl)-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)-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]-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-bromo-3,5-dimethoxyphenyl)-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)-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-isoquinoline-3-carboxylic acid methyl ester Formula: C37H35BrN2O8 MolecularWeight: 715.5864

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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)OCC4=CC=CC=C4)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=C(C2=O)C=C(C=C3)OCC4=CC=CC=C4)C5=CC(=C(C(=C5)OC)Br)OC)C(=O)OC

InChI

InChI=1S/C37H35BrN2O8/c1-37(2,3)48-36(43)39-24-12-14-25(15-13-24)40-33(35(42)46-6)31(23-18-29(44-4)32(38)30(19-23)45-5)27-17-16-26(20-28(27)34(40)41)47-21-22-10-8-7-9-11-22/h7-20H,21H2,1-6H3,(H,39,43)