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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1CCN(CC1C(=O)OCC)CC(C2=C3C=C(C=CC3=NC=C2)OC)O

Isomeric SMILES

CCCCCCCNC1CCN(CC1C(=O)OCC)C[C@@H](C2=C3C=C(C=CC3=NC=C2)OC)O

InChI

InChI=1S/C27H41N3O4/c1-4-6-7-8-9-14-28-25-13-16-30(18-23(25)27(32)34-5-2)19-26(31)21-12-15-29-24-11-10-20(33-3)17-22(21)24/h10-12,15,17,23,25-26,28,31H,4-9,13-14,16,18-19H2,1-3H3/t23?,25?,26-/m0/s1