(1R,6S)-6-[(5-fluoranyl-2-methyl-phenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[(5-fluoranyl-2-methyl-phenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(5-fluoro-2-methyl-phenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[(5-fluoro-2-methylanilino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(5-fluoro-2-methylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[(5-fluoro-2-methyl-phenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C17H20FNO3 MolecularWeight: 305.344003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=C(C=CC(=C2)F)C)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NC2=C(C=CC(=C2)F)C)C(=O)O)C

InChI

InChI=1S/C17H20FNO3/c1-9-4-5-12(18)8-15(9)19-16(20)13-6-10(2)11(3)7-14(13)17(21)22/h4-5,8,13-14H,6-7H2,1-3H3,(H,19,20)(H,21,22)/t13-,14+/m0/s1