1-[6-chloranyl-5-[2-(1-methylcyclohexyl)ethanoylamino]quinolin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-chloranyl-5-[2-(1-methylcyclohexyl)ethanoylamino]quinolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-chloro-5-[[2-(1-methylcyclohexyl)acetyl]amino]-2-quinolyl]piperidine-4-carboxylic acid CAS Name: 1-[6-chloro-5-[[2-(1-methylcyclohexyl)-1-oxoethyl]amino]-2-quinolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-chloro-5-[[2-(1-methylcyclohexyl)acetyl]amino]quinolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-chloro-5-[[2-(1-methylcyclohexyl)acetyl]amino]-2-quinolyl]isonipecotic acid Formula: C24H30ClN3O3 MolecularWeight: 443.9663

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)CC(=O)NC2=C(C=CC3=C2C=CC(=N3)N4CCC(CC4)C(=O)O)Cl

Isomeric SMILES

CC1(CCCCC1)CC(=O)NC2=C(C=CC3=C2C=CC(=N3)N4CCC(CC4)C(=O)O)Cl

InChI

InChI=1S/C24H30ClN3O3/c1-24(11-3-2-4-12-24)15-21(29)27-22-17-5-8-20(26-19(17)7-6-18(22)25)28-13-9-16(10-14-28)23(30)31/h5-8,16H,2-4,9-15H2,1H3,(H,27,29)(H,30,31)