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

Systemtic Name: methyl 4-(3,5-dimethoxy-4-methyl-phenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1-oxidanylidene-7-phenylmethoxy-isoquinoline-3-carboxylate Openeye Name: methyl 7-benzyloxy-2-[4-(tert-butoxycarbonylamino)phenyl]-4-(3,5-dimethoxy-4-methyl-phenyl)-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3,5-dimethoxy-4-methylphenyl)-2-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-1-oxo-7-phenylmethoxy-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3,5-dimethoxy-4-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1-oxo-7-phenylmethoxyisoquinoline-3-carboxylate Traditional Name: 7-benzoxy-2-[4-(tert-butoxycarbonylamino)phenyl]-4-(3,5-dimethoxy-4-methyl-phenyl)-1-keto-isoquinoline-3-carboxylic acid methyl ester Formula: C38H38N2O8 MolecularWeight: 650.71692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)NC(=O)OC(C)(C)C)C(=O)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)NC(=O)OC(C)(C)C)C(=O)OC)OC

InChI

InChI=1S/C38H38N2O8/c1-23-31(44-5)19-25(20-32(23)45-6)33-29-18-17-28(47-22-24-11-9-8-10-12-24)21-30(29)35(41)40(34(33)36(42)46-7)27-15-13-26(14-16-27)39-37(43)48-38(2,3)4/h8-21H,22H2,1-7H3,(H,39,43)