[4-[(E)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 2-phenoxyethanoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 2-phenoxyethanoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxyphenyl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [4-[(E)-2-cyano-3-keto-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(=CC1=CC(=C(C=C1)OC(=O)COC2=CC=CC=C2)OC)C#N

Isomeric SMILES

CCCNC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)COC2=CC=CC=C2)OC)/C#N

InChI

InChI=1S/C22H22N2O5/c1-3-11-24-22(26)17(14-23)12-16-9-10-19(20(13-16)27-2)29-21(25)15-28-18-7-5-4-6-8-18/h4-10,12-13H,3,11,15H2,1-2H3,(H,24,26)/b17-12+