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

Systemtic Name: 2-[4-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]phenoxy]propanoic acid Openeye Name: 2-[4-[(E)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]phenoxy]propanoic acid CAS Name: 2-[4-[(E)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]phenoxy]propanoic acid IUPAC Name: 2-[4-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]phenoxy]propanoic acid Traditional Name: 2-[4-[(E)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]phenoxy]propionic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=C(C=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)OC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H18N2O4/c1-14(20(24)25)26-18-9-7-15(8-10-18)11-17(12-21)19(23)22-13-16-5-3-2-4-6-16/h2-11,14H,13H2,1H3,(H,22,23)(H,24,25)/b17-11+