(4-cyanophenyl)methyl 4-oxidanylidene-4-(4-propylphenyl)butanoate

Systemtic Name: (4-cyanophenyl)methyl 4-oxidanylidene-4-(4-propylphenyl)butanoate Openeye Name: (4-cyanophenyl)methyl 4-oxo-4-(4-propylphenyl)butanoate CAS Name: 4-oxo-4-(4-propylphenyl)butanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-oxo-4-(4-propylphenyl)butanoate Traditional Name: 4-keto-4-(4-propylphenyl)butyric acid (4-cyanobenzyl) ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CC=C(C=C2)C#N

InChI

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