[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 5-[(2,5-dimethylphenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 5-[(2,5-dimethylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 5-(2,5-dimethylanilino)-5-oxo-pentanoate CAS Name: 5-(2,5-dimethylanilino)-5-oxopentanoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 5-(2,5-dimethylanilino)-5-oxopentanoate Traditional Name: 5-(2,5-dimethylanilino)-5-keto-valeric acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C21H22FNO4 MolecularWeight: 371.402083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H22FNO4/c1-14-6-7-15(2)18(12-14)23-20(25)4-3-5-21(26)27-13-19(24)16-8-10-17(22)11-9-16/h6-12H,3-5,13H2,1-2H3,(H,23,25)