tert-butyl N-[[2-(2-methylpropyl)-6-(1,3-oxazol-5-yl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[2-(2-methylpropyl)-6-(1,3-oxazol-5-yl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(2-isobutyl-6-oxazol-5-yl-1-oxo-4-phenyl-3-isoquinolyl)methyl]carbamate CAS Name: N-[[2-(2-methylpropyl)-6-(5-oxazolyl)-1-oxo-4-phenyl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[2-(2-methylpropyl)-6-(1,3-oxazol-5-yl)-1-oxo-4-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(2-isobutyl-1-keto-6-oxazol-5-yl-4-phenyl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=CN=CO3)C4=CC=CC=C4)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=CN=CO3)C4=CC=CC=C4)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C28H31N3O4/c1-18(2)16-31-23(14-30-27(33)35-28(3,4)5)25(19-9-7-6-8-10-19)22-13-20(24-15-29-17-34-24)11-12-21(22)26(31)32/h6-13,15,17-18H,14,16H2,1-5H3,(H,30,33)