1-[6-chloranyl-5-(3-cyclohexylpropanoylamino)quinolin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-chloranyl-5-(3-cyclohexylpropanoylamino)quinolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-chloro-5-(3-cyclohexylpropanoylamino)-2-quinolyl]piperidine-4-carboxylic acid CAS Name: 1-[6-chloro-5-[(3-cyclohexyl-1-oxopropyl)amino]-2-quinolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-chloro-5-(3-cyclohexylpropanoylamino)quinolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-chloro-5-(3-cyclohexylpropanoylamino)-2-quinolyl]isonipecotic acid Formula: C24H30ClN3O3 MolecularWeight: 443.9663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClN3O3/c25-19-8-9-20-18(23(19)27-22(29)11-6-16-4-2-1-3-5-16)7-10-21(26-20)28-14-12-17(13-15-28)24(30)31/h7-10,16-17H,1-6,11-15H2,(H,27,29)(H,30,31)