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

Systemtic Name: 2-[5-[4-[3-(3-ethyl-1-heptyl-piperidin-4-yl)-1-oxidanyl-propyl]quinolin-6-yl]oxypentyl]isoindole-1,3-dione Openeye Name: 2-[5-[[4-[3-(3-ethyl-1-heptyl-4-piperidyl)-1-hydroxy-propyl]-6-quinolyl]oxy]pentyl]isoindoline-1,3-dione CAS Name: 2-[5-[[4-[3-(3-ethyl-1-heptyl-4-piperidinyl)-1-hydroxypropyl]-6-quinolinyl]oxy]pentyl]isoindole-1,3-dione IUPAC Name: 2-[5-[4-[3-(3-ethyl-1-heptylpiperidin-4-yl)-1-hydroxypropyl]quinolin-6-yl]oxypentyl]isoindole-1,3-dione Traditional Name: 2-[5-[[4-[3-(3-ethyl-1-heptyl-4-piperidyl)-1-hydroxy-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)CCC(C2=C3C=C(C=CC3=NC=C2)OCCCCCN4C(=O)C5=CC=CC=C5C4=O)O

Isomeric SMILES

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

InChI

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