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

Systemtic Name: tert-butyl N-[[6-benzamido-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(6-benzamido-4-butoxy-2-isobutyl-1-oxo-3-isoquinolyl)methyl]carbamate CAS Name: N-[[6-benzamido-4-butoxy-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-benzamido-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(6-benzamido-4-butoxy-2-isobutyl-1-keto-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C30H39N3O5 MolecularWeight: 521.64776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)NC(=O)C3=CC=CC=C3)CC(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)NC(=O)C3=CC=CC=C3)CC(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C30H39N3O5/c1-7-8-16-37-26-24-17-22(32-27(34)21-12-10-9-11-13-21)14-15-23(24)28(35)33(19-20(2)3)25(26)18-31-29(36)38-30(4,5)6/h9-15,17,20H,7-8,16,18-19H2,1-6H3,(H,31,36)(H,32,34)