methyl 4-(heptylamino)-1-[(2R)-2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperidine-4-carboxylate

Systemtic Name: methyl 4-(heptylamino)-1-[(2R)-2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperidine-4-carboxylate Openeye Name: methyl 4-(heptylamino)-1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]piperidine-4-carboxylate CAS Name: 4-(heptylamino)-1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(heptylamino)-1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidine-4-carboxylate Traditional Name: 4-(heptylamino)-1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]isonipecotic acid methyl ester Formula: C26H39N3O4 MolecularWeight: 457.60556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1(CCN(CC1)CC(C2=C3C=C(C=CC3=NC=C2)OC)O)C(=O)OC

Isomeric SMILES

CCCCCCCNC1(CCN(CC1)C[C@@H](C2=C3C=C(C=CC3=NC=C2)OC)O)C(=O)OC

InChI

InChI=1S/C26H39N3O4/c1-4-5-6-7-8-14-28-26(25(31)33-3)12-16-29(17-13-26)19-24(30)21-11-15-27-23-10-9-20(32-2)18-22(21)23/h9-11,15,18,24,28,30H,4-8,12-14,16-17,19H2,1-3H3/t24-/m0/s1