[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (2R)-2-[[2-chloranyl-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (2R)-2-[[2-chloranyl-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-butanoate CAS Name: (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate Traditional Name: (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-butyric acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C18H18ClF3N2O3 MolecularWeight: 402.79533

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=CN1)NC2=C(C=C(C=C2)C(F)(F)F)Cl

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)C1=CC=CN1)NC2=C(C=C(C=C2)C(F)(F)F)Cl

InChI

InChI=1S/C18H18ClF3N2O3/c1-10(2)16(17(26)27-9-15(25)14-4-3-7-23-14)24-13-6-5-11(8-12(13)19)18(20,21)22/h3-8,10,16,23-24H,9H2,1-2H3/t16-/m1/s1