[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H20N2O4/c1-15(24)23-11-3-5-16-7-9-18(10-8-16)20(25)14-27-21(26)19-6-2-4-17(12-19)13-22/h2,4,6-10,12H,3,5,11,14H2,1H3,(H,23,24)