3-[4-[(E)-2-cyano-3-[(4-ethoxycarbonylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]propanoic acid

Systemtic Name: 3-[4-[(E)-2-cyano-3-[(4-ethoxycarbonylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]propanoic acid Openeye Name: 3-[4-[(E)-2-cyano-3-(4-ethoxycarbonylanilino)-3-oxo-prop-1-enyl]phenoxy]propanoic acid CAS Name: 3-[4-[(E)-2-cyano-3-(4-ethoxycarbonylanilino)-3-oxoprop-1-enyl]phenoxy]propanoic acid IUPAC Name: 3-[4-[(E)-2-cyano-3-(4-ethoxycarbonylanilino)-3-oxoprop-1-enyl]phenoxy]propanoic acid Traditional Name: 3-[4-[(E)-3-(4-carbethoxyanilino)-2-cyano-3-keto-prop-1-enyl]phenoxy]propionic acid Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OCCC(=O)O)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OCCC(=O)O)/C#N

InChI

InChI=1S/C22H20N2O6/c1-2-29-22(28)16-5-7-18(8-6-16)24-21(27)17(14-23)13-15-3-9-19(10-4-15)30-12-11-20(25)26/h3-10,13H,2,11-12H2,1H3,(H,24,27)(H,25,26)/b17-13+