[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propylphenyl)butanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propylphenyl)butanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-oxo-4-(4-propylphenyl)butanoate CAS Name: 4-oxo-4-(4-propylphenyl)butanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-oxo-4-(4-propylphenyl)butanoate Traditional Name: 4-keto-4-(4-propylphenyl)butyric acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C22H22N2O4/c1-2-4-16-7-9-18(10-8-16)20(25)11-12-22(27)28-15-21(26)24-19-6-3-5-17(13-19)14-23/h3,5-10,13H,2,4,11-12,15H2,1H3,(H,24,26)