[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C21H22FNO4 MolecularWeight: 371.402083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F)C

InChI

InChI=1S/C21H22FNO4/c1-3-15-6-4-5-14(2)21(15)23-19(25)13-27-20(26)12-11-18(24)16-7-9-17(22)10-8-16/h4-10H,3,11-13H2,1-2H3,(H,23,25)