methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-(tert-butoxycarbonylamino)-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C25H28N2O8 MolecularWeight: 484.49842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN1C(=C(C2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NN1C(=C(C2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC

InChI

InChI=1S/C25H28N2O8/c1-25(2,3)35-24(30)26-27-20(23(29)34-7)19(15-10-8-9-11-16(15)22(27)28)14-12-17(31-4)21(33-6)18(13-14)32-5/h8-13H,1-7H3,(H,26,30)