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

Systemtic Name: methyl 4-(3,5-dimethoxy-4-methyl-phenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1-oxidanylidene-7-(pyridin-2-ylmethoxy)isoquinoline-3-carboxylate Openeye Name: methyl 2-[4-(tert-butoxycarbonylamino)phenyl]-4-(3,5-dimethoxy-4-methyl-phenyl)-1-oxo-7-(2-pyridylmethoxy)isoquinoline-3-carboxylate CAS Name: 4-(3,5-dimethoxy-4-methylphenyl)-2-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-1-oxo-7-(2-pyridinylmethoxy)-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-(pyridin-2-ylmethoxy)isoquinoline-3-carboxylate Traditional Name: 2-[4-(tert-butoxycarbonylamino)phenyl]-4-(3,5-dimethoxy-4-methyl-phenyl)-1-keto-7-(2-pyridylmethoxy)isoquinoline-3-carboxylic acid methyl ester Formula: C37H37N3O8 MolecularWeight: 651.70498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC=CC=N4)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=N4)C5=CC=C(C=C5)NC(=O)OC(C)(C)C)C(=O)OC)OC

InChI

InChI=1S/C37H37N3O8/c1-22-30(44-5)18-23(19-31(22)45-6)32-28-16-15-27(47-21-25-10-8-9-17-38-25)20-29(28)34(41)40(33(32)35(42)46-7)26-13-11-24(12-14-26)39-36(43)48-37(2,3)4/h8-20H,21H2,1-7H3,(H,39,43)