[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate CAS Name: 2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate Traditional Name: 2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC=CC=C1NC(=O)CCC2=CC=C(C=C2)OC)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=CC=C1NC(=O)CCC2=CC=C(C=C2)OC)/N

InChI

InChI=1S/C23H23N3O5/c1-15(25)19(13-24)21(27)14-31-23(29)18-5-3-4-6-20(18)26-22(28)12-9-16-7-10-17(30-2)11-8-16/h3-8,10-11H,9,12,14,25H2,1-2H3,(H,26,28)/b19-15+