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

Systemtic Name: tert-butyl N-[[6-[(ethoxycarbonylamino)methyl]-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: ethyl N-[[3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]methyl]carbamate CAS Name: N-[[6-[(ethoxycarbonylamino)methyl]-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-[(ethoxycarbonylamino)methyl]-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]methyl]carbamic acid ethyl ester Formula: C29H37N3O5 MolecularWeight: 507.62118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NCC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)CNC(=O)OC(C)(C)C)CC(C)C

Isomeric SMILES

CCOC(=O)NCC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)CNC(=O)OC(C)(C)C)CC(C)C

InChI

InChI=1S/C29H37N3O5/c1-7-36-27(34)30-16-20-13-14-22-23(15-20)25(21-11-9-8-10-12-21)24(32(26(22)33)18-19(2)3)17-31-28(35)37-29(4,5)6/h8-15,19H,7,16-18H2,1-6H3,(H,30,34)(H,31,35)