4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]-1-heptyl-piperidine-4-carboxylic acid

Systemtic Name: 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]-1-heptyl-piperidine-4-carboxylic acid Openeye Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]-1-heptyl-piperidine-4-carboxylic acid CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)-3-hydroxypropyl]-1-heptyl-4-piperidinecarboxylic acid IUPAC Name: 4-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-heptylpiperidine-4-carboxylic acid Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]-1-heptyl-isonipecotic acid Formula: C26H37ClN2O4 MolecularWeight: 477.03598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCC(CC1)(CCC(C2=C3C=C(C=CC3=NC=C2Cl)OC)O)C(=O)O

Isomeric SMILES

CCCCCCCN1CCC(CC1)(CCC(C2=C3C=C(C=CC3=NC=C2Cl)OC)O)C(=O)O

InChI

InChI=1S/C26H37ClN2O4/c1-3-4-5-6-7-14-29-15-12-26(13-16-29,25(31)32)11-10-23(30)24-20-17-19(33-2)8-9-22(20)28-18-21(24)27/h8-9,17-18,23,30H,3-7,10-16H2,1-2H3,(H,31,32)