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

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-6-phenylmethoxy-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-benzyloxy-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-phenylmethoxy-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-phenylmethoxyisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(6-benzoxy-4-butoxy-1-keto-2-neopentyl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C31H42N2O5 MolecularWeight: 522.67558

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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)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)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C31H42N2O5/c1-8-9-17-36-27-25-18-23(37-20-22-13-11-10-12-14-22)15-16-24(25)28(34)33(21-30(2,3)4)26(27)19-32-29(35)38-31(5,6)7/h10-16,18H,8-9,17,19-21H2,1-7H3,(H,32,35)