[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H22N2O4/c1-2-3-4-5-21(26)24-19-12-10-17(11-13-19)20(25)15-28-22(27)18-8-6-16(14-23)7-9-18/h6-13H,2-5,15H2,1H3,(H,24,26)