(2-cyanophenyl)methyl 4-oxidanylidene-4-(4-propoxyphenyl)butanoate

Systemtic Name: (2-cyanophenyl)methyl 4-oxidanylidene-4-(4-propoxyphenyl)butanoate Openeye Name: (2-cyanophenyl)methyl 4-oxo-4-(4-propoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-propoxyphenyl)butanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-oxo-4-(4-propoxyphenyl)butanoate Traditional Name: 4-keto-4-(4-propoxyphenyl)butyric acid (2-cyanobenzyl) ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CC=CC=C2C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CC=CC=C2C#N

InChI

InChI=1S/C21H21NO4/c1-2-13-25-19-9-7-16(8-10-19)20(23)11-12-21(24)26-15-18-6-4-3-5-17(18)14-22/h3-10H,2,11-13,15H2,1H3