(2-cyanophenyl)methyl 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2-cyanophenyl)methyl 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: (2-cyanophenyl)methyl 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid (2-cyanobenzyl) ester Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC2=CC=CC=C2C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC2=CC=CC=C2C#N

InChI

InChI=1S/C20H19NO3/c1-14-7-8-15(2)18(11-14)19(22)9-10-20(23)24-13-17-6-4-3-5-16(17)12-21/h3-8,11H,9-10,13H2,1-2H3