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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-phenyl] 2-phenoxyethanoate Openeye Name: [4-[(E)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [4-[(E)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [4-[(E)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H22N2O5 MolecularWeight: 442.46328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)OC(=O)COC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2)OC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C26H22N2O5/c1-31-24-15-20(14-21(16-27)26(30)28-17-19-8-4-2-5-9-19)12-13-23(24)33-25(29)18-32-22-10-6-3-7-11-22/h2-15H,17-18H2,1H3,(H,28,30)/b21-14+