2-(cyclohexylmethylamino)quinoline-4-carboxylic acid

Systemtic Name: 2-(cyclohexylmethylamino)quinoline-4-carboxylic acid Openeye Name: 2-(cyclohexylmethylamino)quinoline-4-carboxylic acid CAS Name: 2-(cyclohexylmethylamino)-4-quinolinecarboxylic acid IUPAC Name: 2-(cyclohexylmethylamino)quinoline-4-carboxylic acid Traditional Name: 2-(cyclohexylmethylamino)cinchoninic acid Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)CNC2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C17H20N2O2/c20-17(21)14-10-16(18-11-12-6-2-1-3-7-12)19-15-9-5-4-8-13(14)15/h4-5,8-10,12H,1-3,6-7,11H2,(H,18,19)(H,20,21)