2-[(1S,3S)-3-methylcyclohexyl]oxyquinoline-3-carboxylate

Systemtic Name: 2-[(1S,3S)-3-methylcyclohexyl]oxyquinoline-3-carboxylate Openeye Name: 2-[(1S,3S)-3-methylcyclohexoxy]quinoline-3-carboxylate CAS Name: 2-[(1S,3S)-3-methylcyclohexyl]oxy-3-quinolinecarboxylate IUPAC Name: 2-[(1S,3S)-3-methylcyclohexyl]oxyquinoline-3-carboxylate Traditional Name: 2-[(1S,3S)-3-methylcyclohexoxy]quinoline-3-carboxylate Formula: C17H18NO3- MolecularWeight: 284.32972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC2=NC3=CC=CC=C3C=C2C(=O)[O-]

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)OC2=NC3=CC=CC=C3C=C2C(=O)[O-]

InChI

InChI=1S/C17H19NO3/c1-11-5-4-7-13(9-11)21-16-14(17(19)20)10-12-6-2-3-8-15(12)18-16/h2-3,6,8,10-11,13H,4-5,7,9H2,1H3,(H,19,20)/p-1/t11-,13-/m0/s1