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

Systemtic Name: 1-[6-chloranyl-5-[2-(2-methylphenyl)ethylcarbamoyl]quinolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-chloro-5-[2-(o-tolyl)ethylcarbamoyl]-2-quinolyl]piperidine-4-carboxylic acid CAS Name: 1-[6-chloro-5-[[2-(2-methylphenyl)ethylamino]-oxomethyl]-2-quinolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-chloro-5-[2-(2-methylphenyl)ethylcarbamoyl]quinolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-chloro-5-[2-(o-tolyl)ethylcarbamoyl]-2-quinolyl]isonipecotic acid Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)C2=C(C=CC3=C2C=CC(=N3)N4CCC(CC4)C(=O)O)Cl

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)C2=C(C=CC3=C2C=CC(=N3)N4CCC(CC4)C(=O)O)Cl

InChI

InChI=1S/C25H26ClN3O3/c1-16-4-2-3-5-17(16)10-13-27-24(30)23-19-6-9-22(28-21(19)8-7-20(23)26)29-14-11-18(12-15-29)25(31)32/h2-9,18H,10-15H2,1H3,(H,27,30)(H,31,32)