(1R,6R)-6-[(5-bromanylquinolin-8-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-[(5-bromanylquinolin-8-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[(5-bromo-8-quinolyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[[(5-bromo-8-quinolinyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[(5-bromoquinolin-8-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[(5-bromo-8-quinolyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C17H14BrN2O3- MolecularWeight: 374.20866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@H]([C@@H]1C(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3)C(=O)[O-]

InChI

InChI=1S/C17H15BrN2O3/c18-13-7-8-14(15-12(13)6-3-9-19-15)20-16(21)10-4-1-2-5-11(10)17(22)23/h1-3,6-11H,4-5H2,(H,20,21)(H,22,23)/p-1/t10-,11-/m1/s1