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

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(6-benzyloxy-4-butoxy-2-isobutyl-1-oxo-3-isoquinolyl)methyl]carbamate CAS Name: N-[[4-butoxy-2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-1-oxo-6-phenylmethoxyisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(6-benzoxy-4-butoxy-2-isobutyl-1-keto-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C30H40N2O5 MolecularWeight: 508.649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C30H40N2O5/c1-7-8-16-35-27-25-17-23(36-20-22-12-10-9-11-13-22)14-15-24(25)28(33)32(19-21(2)3)26(27)18-31-29(34)37-30(4,5)6/h9-15,17,21H,7-8,16,18-20H2,1-6H3,(H,31,34)