methyl 4-(4-methylphenyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carboxylate Openeye Name: methyl 3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-oxo-4-(p-tolyl)isoquinoline-6-carboxylate CAS Name: 4-(4-methylphenyl)-3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-(2-methylpropyl)-1-oxo-6-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxoisoquinoline-6-carboxylate Traditional Name: 3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-keto-4-(p-tolyl)isoquinoline-6-carboxylic acid methyl ester Formula: C28H34N2O5 MolecularWeight: 478.57996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)C(=O)OC)CC(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)C(=O)OC)CC(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C28H34N2O5/c1-17(2)16-30-23(15-29-27(33)35-28(4,5)6)24(19-10-8-18(3)9-11-19)22-14-20(26(32)34-7)12-13-21(22)25(30)31/h8-14,17H,15-16H2,1-7H3,(H,29,33)