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

Systemtic Name: 2-[4-[(E)-2-cyano-3-oxidanylidene-3-(3-phenylpropylamino)prop-1-enyl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-2-cyano-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[(E)-2-cyano-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-2-cyano-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[(E)-2-cyano-3-keto-3-(3-phenylpropylamino)prop-1-enyl]-2-methoxy-phenoxy]acetic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCCCC2=CC=CC=C2)OCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCCCC2=CC=CC=C2)OCC(=O)O

InChI

InChI=1S/C22H22N2O5/c1-28-20-13-17(9-10-19(20)29-15-21(25)26)12-18(14-23)22(27)24-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13H,5,8,11,15H2,1H3,(H,24,27)(H,25,26)/b18-12+