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

Systemtic Name: 1-[1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]ethane-1,2-diol Openeye Name: 1-[1-heptyl-4-[3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]ethane-1,2-diol CAS Name: 1-[1-heptyl-4-[3-(6-methoxy-4-quinolinyl)propyl]-3-piperidinyl]ethane-1,2-diol IUPAC Name: 1-[1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]ethane-1,2-diol Traditional Name: 1-[1-heptyl-4-[3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]ethane-1,2-diol Formula: C27H42N2O3 MolecularWeight: 442.63398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42N2O3/c1-3-4-5-6-7-16-29-17-14-22(25(19-29)27(31)20-30)10-8-9-21-13-15-28-26-12-11-23(32-2)18-24(21)26/h11-13,15,18,22,25,27,30-31H,3-10,14,16-17,19-20H2,1-2H3