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

Systemtic Name: N-[[4-butoxy-2-(cyclopropylmethyl)-6-methanoyl-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: N-[[4-butoxy-2-(cyclopropylmethyl)-6-formyl-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(cyclopropylmethyl)-6-formyl-1-oxo-3-isoquinolinyl]methyl]carbamate IUPAC Name: N-[[4-butoxy-2-(cyclopropylmethyl)-6-formyl-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-butoxy-2-(cyclopropylmethyl)-6-formyl-1-keto-3-isoquinolyl]methyl]carbamate Formula: C20H23N2O5- MolecularWeight: 371.40702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C=O)CC3CC3)CNC(=O)[O-]

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C=O)CC3CC3)CNC(=O)[O-]

InChI

InChI=1S/C20H24N2O5/c1-2-3-8-27-18-16-9-14(12-23)6-7-15(16)19(24)22(11-13-4-5-13)17(18)10-21-20(25)26/h6-7,9,12-13,21H,2-5,8,10-11H2,1H3,(H,25,26)/p-1