methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinoline-7-carboxylate

Systemtic Name: methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinoline-7-carboxylate Openeye Name: methyl 3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-oxo-4-phenyl-isoquinoline-7-carboxylate CAS Name: 3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-(2-methylpropyl)-1-oxo-4-phenyl-7-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxo-4-phenylisoquinoline-7-carboxylate Traditional Name: 3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-keto-4-phenyl-isoquinoline-7-carboxylic acid methyl ester Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=C(C=C2)C(=O)OC)C3=CC=CC=C3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=C(C=C2)C(=O)OC)C3=CC=CC=C3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C27H32N2O5/c1-17(2)16-29-22(15-28-26(32)34-27(3,4)5)23(18-10-8-7-9-11-18)20-13-12-19(25(31)33-6)14-21(20)24(29)30/h7-14,17H,15-16H2,1-6H3,(H,28,32)