4-[(E)-1-(2-cyanophenyl)pent-1-en-3-yl]oxy-3-oxidanylidene-butanoic acid

Systemtic Name: 4-[(E)-1-(2-cyanophenyl)pent-1-en-3-yl]oxy-3-oxidanylidene-butanoic acid Openeye Name: 4-[(E)-3-(2-cyanophenyl)-1-ethyl-allyloxy]-3-oxo-butanoic acid CAS Name: 4-[(E)-1-(2-cyanophenyl)pent-1-en-3-yl]oxy-3-oxobutanoic acid IUPAC Name: 4-[(E)-1-(2-cyanophenyl)pent-1-en-3-yl]oxy-3-oxobutanoic acid Traditional Name: 4-[(E)-3-(2-cyanophenyl)-1-ethyl-allyloxy]-3-keto-butyric acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=CC1=CC=CC=C1C#N)OCC(=O)CC(=O)O

Isomeric SMILES

CCC(/C=C/C1=CC=CC=C1C#N)OCC(=O)CC(=O)O

InChI

InChI=1S/C16H17NO4/c1-2-15(21-11-14(18)9-16(19)20)8-7-12-5-3-4-6-13(12)10-17/h3-8,15H,2,9,11H2,1H3,(H,19,20)/b8-7+