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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1(CCN(C(C1)O)CCC2=C3C=C(C=CC3=NC=C2)OC)C(=O)OC

Isomeric SMILES

CCCCCCCNC1(CCN([C@@H](C1)O)CCC2=C3C=C(C=CC3=NC=C2)OC)C(=O)OC

InChI

InChI=1S/C26H39N3O4/c1-4-5-6-7-8-14-28-26(25(31)33-3)13-17-29(24(30)19-26)16-12-20-11-15-27-23-10-9-21(32-2)18-22(20)23/h9-11,15,18,24,28,30H,4-8,12-14,16-17,19H2,1-3H3/t24-,26?/m1/s1