(3R,4R)-1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid

Systemtic Name: (3R,4R)-1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid Openeye Name: (3R,4R)-1-heptyl-4-[3-(6-methoxy-4-quinolyl)propyl]piperidine-3-carboxylic acid CAS Name: (3R,4R)-1-heptyl-4-[3-(6-methoxy-4-quinolinyl)propyl]-3-piperidinecarboxylic acid IUPAC Name: (3R,4R)-1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid Traditional Name: (3R,4R)-1-heptyl-4-[3-(6-methoxy-4-quinolyl)propyl]nipecotic acid Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCC(C(C1)C(=O)O)CCCC2=C3C=C(C=CC3=NC=C2)OC

Isomeric SMILES

CCCCCCCN1CC[C@H]([C@H](C1)C(=O)O)CCCC2=C3C=C(C=CC3=NC=C2)OC

InChI

InChI=1S/C26H38N2O3/c1-3-4-5-6-7-16-28-17-14-21(24(19-28)26(29)30)10-8-9-20-13-15-27-25-12-11-22(31-2)18-23(20)25/h11-13,15,18,21,24H,3-10,14,16-17,19H2,1-2H3,(H,29,30)/t21-,24+/m1/s1