2-cyclohexyl-8-methyl-quinoline-4-carboxylate

Systemtic Name: 2-cyclohexyl-8-methyl-quinoline-4-carboxylate Openeye Name: 2-cyclohexyl-8-methyl-quinoline-4-carboxylate CAS Name: 2-cyclohexyl-8-methyl-4-quinolinecarboxylate IUPAC Name: 2-cyclohexyl-8-methylquinoline-4-carboxylate Traditional Name: 2-cyclohexyl-8-methyl-cinchoninate Formula: C17H18NO2- MolecularWeight: 268.33032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)[O-])C3CCCCC3

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)[O-])C3CCCCC3

InChI

InChI=1S/C17H19NO2/c1-11-6-5-9-13-14(17(19)20)10-15(18-16(11)13)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,19,20)/p-1