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

Systemtic Name: ethyl 1-heptyl-4-[[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]amino]piperidine-3-carboxylate Openeye Name: ethyl 1-heptyl-4-[[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]amino]piperidine-3-carboxylate CAS Name: 1-heptyl-4-[[2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]amino]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-heptyl-4-[[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]amino]piperidine-3-carboxylate Traditional Name: 1-heptyl-4-[[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]amino]nipecotic acid ethyl ester Formula: C27H41N3O4 MolecularWeight: 471.63214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41N3O4/c1-4-6-7-8-9-15-30-16-13-25(23(19-30)27(32)34-5-2)29-18-26(31)21-12-14-28-24-11-10-20(33-3)17-22(21)24/h10-12,14,17,23,25-26,29,31H,4-9,13,15-16,18-19H2,1-3H3