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

Systemtic Name: 1-[6-chloranyl-5-[3-(2-chlorophenyl)propanoylamino]quinolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-chloro-5-[3-(2-chlorophenyl)propanoylamino]-2-quinolyl]piperidine-4-carboxylic acid CAS Name: 1-[6-chloro-5-[[3-(2-chlorophenyl)-1-oxopropyl]amino]-2-quinolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-chloro-5-[3-(2-chlorophenyl)propanoylamino]quinolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-chloro-5-[3-(2-chlorophenyl)propanoylamino]-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)NC(=O)CCC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)NC(=O)CCC4=CC=CC=C4Cl

InChI

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