2-[5-[4-[3-(3-ethyl-1-heptyl-3-oxidanyl-piperidin-4-yl)propyl]quinolin-6-yl]oxypentyl]isoindole-1,3-dione

Systemtic Name: 2-[5-[4-[3-(3-ethyl-1-heptyl-3-oxidanyl-piperidin-4-yl)propyl]quinolin-6-yl]oxypentyl]isoindole-1,3-dione Openeye Name: 2-[5-[[4-[3-(3-ethyl-1-heptyl-3-hydroxy-4-piperidyl)propyl]-6-quinolyl]oxy]pentyl]isoindoline-1,3-dione CAS Name: 2-[5-[[4-[3-(3-ethyl-1-heptyl-3-hydroxy-4-piperidinyl)propyl]-6-quinolinyl]oxy]pentyl]isoindole-1,3-dione IUPAC Name: 2-[5-[4-[3-(3-ethyl-1-heptyl-3-hydroxypiperidin-4-yl)propyl]quinolin-6-yl]oxypentyl]isoindole-1,3-dione Traditional Name: 2-[5-[[4-[3-(3-ethyl-1-heptyl-3-hydroxy-4-piperidyl)propyl]-6-quinolyl]oxy]pentyl]isoindoline-1,3-quinone Formula: C39H53N3O4 MolecularWeight: 627.85582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCC(C(C1)(CC)O)CCCC2=C3C=C(C=CC3=NC=C2)OCCCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCCCCCN1CCC(C(C1)(CC)O)CCCC2=C3C=C(C=CC3=NC=C2)OCCCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C39H53N3O4/c1-3-5-6-7-11-24-41-26-22-31(39(45,4-2)29-41)16-14-15-30-21-23-40-36-20-19-32(28-35(30)36)46-27-13-8-12-25-42-37(43)33-17-9-10-18-34(33)38(42)44/h9-10,17-21,23,28,31,45H,3-8,11-16,22,24-27,29H2,1-2H3