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

Systemtic Name: tert-butyl N-[[4-butoxy-2-(cyclopropylmethyl)-6-oxidanyl-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-2-(cyclopropylmethyl)-6-hydroxy-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(cyclopropylmethyl)-6-hydroxy-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(cyclopropylmethyl)-6-hydroxy-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-butoxy-2-(cyclopropylmethyl)-6-hydroxy-1-keto-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C23H32N2O5 MolecularWeight: 416.51058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)O)CC3CC3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)O)CC3CC3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C23H32N2O5/c1-5-6-11-29-20-18-12-16(26)9-10-17(18)21(27)25(14-15-7-8-15)19(20)13-24-22(28)30-23(2,3)4/h9-10,12,15,26H,5-8,11,13-14H2,1-4H3,(H,24,28)