(1R,6S)-6-[(5-bromanylpyridin-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[(5-bromanylpyridin-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(5-bromo-2-pyridyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[(5-bromo-2-pyridinyl)amino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(5-bromopyridin-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(5-bromo-2-pyridyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C15H16BrN2O3- MolecularWeight: 352.20314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=NC=C(C=C2)Br)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NC2=NC=C(C=C2)Br)C(=O)[O-])C

InChI

InChI=1S/C15H17BrN2O3/c1-8-5-11(12(15(20)21)6-9(8)2)14(19)18-13-4-3-10(16)7-17-13/h3-4,7,11-12H,5-6H2,1-2H3,(H,20,21)(H,17,18,19)/p-1/t11-,12+/m0/s1