[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(4-cyanophenyl)propanoate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(4-cyanophenyl)propanoate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H21NO3/c1-3-16-8-11-19(12-9-16)21(24)15(2)25-20(23)13-10-17-4-6-18(14-22)7-5-17/h4-9,11-12,15H,3,10,13H2,1-2H3