tert-butyl N-[[7-ethoxy-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[7-ethoxy-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(7-ethoxy-2-isobutyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]carbamate CAS Name: N-[[7-ethoxy-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[7-ethoxy-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(7-ethoxy-2-isobutyl-1-keto-4-phenyl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=C(N(C2=O)CC(C)C)CNC(=O)OC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=C(N(C2=O)CC(C)C)CNC(=O)OC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C27H34N2O4/c1-7-32-20-13-14-21-22(15-20)25(30)29(17-18(2)3)23(16-28-26(31)33-27(4,5)6)24(21)19-11-9-8-10-12-19/h8-15,18H,7,16-17H2,1-6H3,(H,28,31)