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

Systemtic Name: 3-[4-[(E)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]phenoxy]propanoic acid Openeye Name: 3-[4-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]phenoxy]propanoic acid CAS Name: 3-[4-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]phenoxy]propanoic acid IUPAC Name: 3-[4-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]phenoxy]propanoic acid Traditional Name: 3-[4-[(E)-2-cyano-3-keto-3-(phenethylamino)prop-1-enyl]phenoxy]propionic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c22-15-18(21(26)23-12-10-16-4-2-1-3-5-16)14-17-6-8-19(9-7-17)27-13-11-20(24)25/h1-9,14H,10-13H2,(H,23,26)(H,24,25)/b18-14+