(1S,6R)-6-[(2-chloranyl-6-fluoranyl-phenyl)methylcarbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[(2-chloranyl-6-fluoranyl-phenyl)methylcarbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[(2-chloro-6-fluoro-phenyl)methylcarbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[(2-chloro-6-fluorophenyl)methylamino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(2-chloro-6-fluoro-benzyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C17H18ClFNO3- MolecularWeight: 338.781123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NCC2=C(C=CC=C2Cl)F)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@@H]([C@@H](C1)C(=O)NCC2=C(C=CC=C2Cl)F)C(=O)[O-])C

InChI

InChI=1S/C17H19ClFNO3/c1-9-6-11(12(17(22)23)7-10(9)2)16(21)20-8-13-14(18)4-3-5-15(13)19/h3-5,11-12H,6-8H2,1-2H3,(H,20,21)(H,22,23)/p-1/t11-,12+/m1/s1