2-[(2-methylcyclohexyl)amino]quinoline-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CC1CCCCC1NC2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C17H20N2O2/c1-11-6-2-4-8-14(11)18-16-10-13(17(20)21)12-7-3-5-9-15(12)19-16/h3,5,7,9-11,14H,2,4,6,8H2,1H3,(H,18,19)(H,20,21)