4-(acetamidomethyl)-6-[4-chloranyl-3-(trifluoromethyl)phenyl]-6-methyl-cyclohexene-1-carboxylic acid

Systemtic Name: 4-(acetamidomethyl)-6-[4-chloranyl-3-(trifluoromethyl)phenyl]-6-methyl-cyclohexene-1-carboxylic acid Openeye Name: 4-(acetamidomethyl)-6-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-cyclohexene-1-carboxylic acid CAS Name: 4-(acetamidomethyl)-6-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-1-cyclohexenecarboxylic acid IUPAC Name: 4-(acetamidomethyl)-6-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylcyclohexene-1-carboxylic acid Traditional Name: 4-(acetamidomethyl)-6-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-cyclohexene-1-carboxylic acid Formula: C18H19ClF3NO3 MolecularWeight: 389.79657

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1CC=C(C(C1)(C)C2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(=O)NCC1CC=C(C(C1)(C)C2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H19ClF3NO3/c1-10(24)23-9-11-3-5-13(16(25)26)17(2,8-11)12-4-6-15(19)14(7-12)18(20,21)22/h4-7,11H,3,8-9H2,1-2H3,(H,23,24)(H,25,26)