2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxybutanoic acid

Systemtic Name: 2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxybutanoic acid Openeye Name: 2-[(2-allyl-1-oxo-5-isoquinolyl)oxy]butanoic acid CAS Name: 2-[(1-oxo-2-prop-2-enyl-5-isoquinolinyl)oxy]butanoic acid IUPAC Name: 2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxybutanoic acid Traditional Name: 2-[(2-allyl-1-keto-5-isoquinolyl)oxy]butyric acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC=CC2=C1C=CN(C2=O)CC=C

Isomeric SMILES

CCC(C(=O)O)OC1=CC=CC2=C1C=CN(C2=O)CC=C

InChI

InChI=1S/C16H17NO4/c1-3-9-17-10-8-11-12(15(17)18)6-5-7-14(11)21-13(4-2)16(19)20/h3,5-8,10,13H,1,4,9H2,2H3,(H,19,20)