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

Systemtic Name: tert-butyl N-[[4-(4-chlorophenyl)-2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-benzyloxy-4-(4-chlorophenyl)-2-isobutyl-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-(4-chlorophenyl)-2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-(4-chlorophenyl)-2-(2-methylpropyl)-1-oxo-6-phenylmethoxyisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-benzoxy-4-(4-chlorophenyl)-2-isobutyl-1-keto-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C32H35ClN2O4 MolecularWeight: 547.0843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C32H35ClN2O4/c1-21(2)19-35-28(18-34-31(37)39-32(3,4)5)29(23-11-13-24(33)14-12-23)27-17-25(15-16-26(27)30(35)36)38-20-22-9-7-6-8-10-22/h6-17,21H,18-20H2,1-5H3,(H,34,37)