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

Systemtic Name: 1-[6-chloranyl-5-[2-(4-chlorophenyl)ethylcarbamoyl]quinolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-chloro-5-[2-(4-chlorophenyl)ethylcarbamoyl]-2-quinolyl]piperidine-4-carboxylic acid CAS Name: 1-[6-chloro-5-[[2-(4-chlorophenyl)ethylamino]-oxomethyl]-2-quinolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-chloro-5-[2-(4-chlorophenyl)ethylcarbamoyl]quinolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-chloro-5-[2-(4-chlorophenyl)ethylcarbamoyl]-2-quinolyl]isonipecotic acid Formula: C24H23Cl2N3O3 MolecularWeight: 472.36372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)C(=O)NCCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)C(=O)NCCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H23Cl2N3O3/c25-17-3-1-15(2-4-17)9-12-27-23(30)22-18-5-8-21(28-20(18)7-6-19(22)26)29-13-10-16(11-14-29)24(31)32/h1-8,16H,9-14H2,(H,27,30)(H,31,32)