2-[1-[6-chloranyl-5-(2-cyclohexylethanoylamino)quinolin-2-yl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[6-chloranyl-5-(2-cyclohexylethanoylamino)quinolin-2-yl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[6-chloro-5-[(2-cyclohexylacetyl)amino]-2-quinolyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[6-chloro-5-[(2-cyclohexyl-1-oxoethyl)amino]-2-quinolinyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[6-chloro-5-[(2-cyclohexylacetyl)amino]quinolin-2-yl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[6-chloro-5-[(2-cyclohexylacetyl)amino]-2-quinolyl]-4-piperidyl]acetic acid Formula: C24H30ClN3O3 MolecularWeight: 443.9663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)NC2=C(C=CC3=C2C=CC(=N3)N4CCC(CC4)CC(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)CC(=O)NC2=C(C=CC3=C2C=CC(=N3)N4CCC(CC4)CC(=O)O)Cl

InChI

InChI=1S/C24H30ClN3O3/c25-19-7-8-20-18(24(19)27-22(29)14-16-4-2-1-3-5-16)6-9-21(26-20)28-12-10-17(11-13-28)15-23(30)31/h6-9,16-17H,1-5,10-15H2,(H,27,29)(H,30,31)