2-[(3R,4S)-1-heptyl-4-[3-(6-methoxyquinolin-4-yl)-2-oxidanyl-propyl]piperidin-3-yl]ethanenitrile

Systemtic Name: 2-[(3R,4S)-1-heptyl-4-[3-(6-methoxyquinolin-4-yl)-2-oxidanyl-propyl]piperidin-3-yl]ethanenitrile Openeye Name: 2-[(3R,4S)-1-heptyl-4-[2-hydroxy-3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]acetonitrile CAS Name: 2-[(3R,4S)-1-heptyl-4-[2-hydroxy-3-(6-methoxy-4-quinolinyl)propyl]-3-piperidinyl]acetonitrile IUPAC Name: 2-[(3R,4S)-1-heptyl-4-[2-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]acetonitrile Traditional Name: 2-[(3R,4S)-1-heptyl-4-[2-hydroxy-3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]acetonitrile Formula: C27H39N3O2 MolecularWeight: 437.61746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCC(C(C1)CC#N)CC(CC2=C3C=C(C=CC3=NC=C2)OC)O

Isomeric SMILES

CCCCCCCN1CC[C@H]([C@H](C1)CC#N)CC(CC2=C3C=C(C=CC3=NC=C2)OC)O

InChI

InChI=1S/C27H39N3O2/c1-3-4-5-6-7-15-30-16-12-21(23(20-30)10-13-28)17-24(31)18-22-11-14-29-27-9-8-25(32-2)19-26(22)27/h8-9,11,14,19,21,23-24,31H,3-7,10,12,15-18,20H2,1-2H3/t21-,23-,24?/m0/s1