tert-butyl N-[[4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-benzyloxy-2-isobutyl-1-oxo-4-(p-tolyl)-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxo-6-phenylmethoxyisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-benzoxy-2-isobutyl-1-keto-4-(p-tolyl)-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C33H38N2O4 MolecularWeight: 526.66582

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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)OCC4=CC=CC=C4)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)OCC4=CC=CC=C4)CC(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C33H38N2O4/c1-22(2)20-35-29(19-34-32(37)39-33(4,5)6)30(25-14-12-23(3)13-15-25)28-18-26(16-17-27(28)31(35)36)38-21-24-10-8-7-9-11-24/h7-18,22H,19-21H2,1-6H3,(H,34,37)