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

Systemtic Name: 1-[1-[6-chloranyl-2-(4-chlorophenyl)quinolin-4-yl]carbonylpiperidin-4-yl]piperidine-3-carboxylic acid Openeye Name: 1-[1-[6-chloro-2-(4-chlorophenyl)quinoline-4-carbonyl]-4-piperidyl]piperidine-3-carboxylic acid CAS Name: 1-[1-[[6-chloro-2-(4-chlorophenyl)-4-quinolinyl]-oxomethyl]-4-piperidinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-[6-chloro-2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]piperidine-3-carboxylic acid Traditional Name: 1-[1-[6-chloro-2-(4-chlorophenyl)quinoline-4-carbonyl]-4-piperidyl]nipecotic acid Formula: C27H27Cl2N3O3 MolecularWeight: 512.42758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CCN(CC2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2CCN(CC2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C27H27Cl2N3O3/c28-19-5-3-17(4-6-19)25-15-23(22-14-20(29)7-8-24(22)30-25)26(33)31-12-9-21(10-13-31)32-11-1-2-18(16-32)27(34)35/h3-8,14-15,18,21H,1-2,9-13,16H2,(H,34,35)