1-[1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]-3-oxidanyl-piperidin-3-yl]ethane-1,2-diol

Systemtic Name: 1-[1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]-3-oxidanyl-piperidin-3-yl]ethane-1,2-diol Openeye Name: 1-[1-heptyl-3-hydroxy-4-[3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]ethane-1,2-diol CAS Name: 1-[1-heptyl-3-hydroxy-4-[3-(6-methoxy-4-quinolinyl)propyl]-3-piperidinyl]ethane-1,2-diol IUPAC Name: 1-[1-heptyl-3-hydroxy-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]ethane-1,2-diol Traditional Name: 1-[1-heptyl-3-hydroxy-4-[3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]ethane-1,2-diol Formula: C27H42N2O4 MolecularWeight: 458.63338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCC(C(C1)(C(CO)O)O)CCCC2=C3C=C(C=CC3=NC=C2)OC

Isomeric SMILES

CCCCCCCN1CCC(C(C1)(C(CO)O)O)CCCC2=C3C=C(C=CC3=NC=C2)OC

InChI

InChI=1S/C27H42N2O4/c1-3-4-5-6-7-16-29-17-14-22(27(32,20-29)26(31)19-30)10-8-9-21-13-15-28-25-12-11-23(33-2)18-24(21)25/h11-13,15,18,22,26,30-32H,3-10,14,16-17,19-20H2,1-2H3