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

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-(4-ethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(4-ethoxyphenyl)-4-oxobutanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-p-phenetyl-butyric acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H20N2O5/c1-2-27-18-8-6-16(7-9-18)19(24)10-11-21(26)28-14-20(25)23-17-5-3-4-15(12-17)13-22/h3-9,12H,2,10-11,14H2,1H3,(H,23,25)