4-[[3,5-bis(trifluoromethyl)phenyl]amino]-3-(cyclohexen-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-3-(cyclohexen-1-yl)-4-oxidanylidene-butanoate Openeye Name: 4-[3,5-bis(trifluoromethyl)anilino]-3-(cyclohexen-1-yl)-4-oxo-butanoate CAS Name: 4-[3,5-bis(trifluoromethyl)anilino]-3-(1-cyclohexenyl)-4-oxobutanoate IUPAC Name: 4-[3,5-bis(trifluoromethyl)anilino]-3-(cyclohexen-1-yl)-4-oxobutanoate Traditional Name: 4-[3,5-bis(trifluoromethyl)anilino]-3-(cyclohexen-1-yl)-4-keto-butyrate Formula: C18H16F6NO3- MolecularWeight: 408.314959

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C(CC(=O)[O-])C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CCC(=CC1)C(CC(=O)[O-])C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H17F6NO3/c19-17(20,21)11-6-12(18(22,23)24)8-13(7-11)25-16(28)14(9-15(26)27)10-4-2-1-3-5-10/h4,6-8,14H,1-3,5,9H2,(H,25,28)(H,26,27)/p-1