2-[4-[(E)-2-cyano-3-oxidanylidene-3-(4-propylphenyl)prop-1-enyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-2-cyano-3-oxidanylidene-3-(4-propylphenyl)prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-2-cyano-3-oxo-3-(4-propylphenyl)prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[4-[(E)-2-cyano-3-oxo-3-(4-propylphenyl)prop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[4-[(E)-2-cyano-3-oxo-3-(4-propylphenyl)prop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[4-[(E)-2-cyano-3-keto-3-(4-propylphenyl)prop-1-enyl]phenoxy]acetic acid Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)OCC(=O)O)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)/C(=C/C2=CC=C(C=C2)OCC(=O)O)/C#N

InChI

InChI=1S/C21H19NO4/c1-2-3-15-4-8-17(9-5-15)21(25)18(13-22)12-16-6-10-19(11-7-16)26-14-20(23)24/h4-12H,2-3,14H2,1H3,(H,23,24)/b18-12+