1-heptyl-4-[[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]amino]piperidine-3-carboxylic acid

Systemtic Name: 1-heptyl-4-[[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]amino]piperidine-3-carboxylic acid Openeye Name: 1-heptyl-4-[[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]amino]piperidine-3-carboxylic acid CAS Name: 1-heptyl-4-[[2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]amino]-3-piperidinecarboxylic acid IUPAC Name: 1-heptyl-4-[[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]amino]piperidine-3-carboxylic acid Traditional Name: 1-heptyl-4-[[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]amino]nipecotic acid Formula: C25H37N3O4 MolecularWeight: 443.57898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O4/c1-3-4-5-6-7-13-28-14-11-23(21(17-28)25(30)31)27-16-24(29)19-10-12-26-22-9-8-18(32-2)15-20(19)22/h8-10,12,15,21,23-24,27,29H,3-7,11,13-14,16-17H2,1-2H3,(H,30,31)