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

Systemtic Name: tert-butyl N-[[4-butoxy-2-(cyclopropylmethyl)-6-(hydroxymethyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-2-(cyclopropylmethyl)-6-(hydroxymethyl)-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(cyclopropylmethyl)-6-(hydroxymethyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(cyclopropylmethyl)-6-(hydroxymethyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-butoxy-2-(cyclopropylmethyl)-1-keto-6-methylol-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C24H34N2O5 MolecularWeight: 430.53716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O5/c1-5-6-11-30-21-19-12-17(15-27)9-10-18(19)22(28)26(14-16-7-8-16)20(21)13-25-23(29)31-24(2,3)4/h9-10,12,16,27H,5-8,11,13-15H2,1-4H3,(H,25,29)