2-[4-[(2-tert-butyl-4-ethyl-6-methoxy-5-octoxy-quinolin-8-yl)amino]pentyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(2-tert-butyl-4-ethyl-6-methoxy-5-octoxy-quinolin-8-yl)amino]pentyl]isoindole-1,3-dione Openeye Name: 2-[4-[(2-tert-butyl-4-ethyl-6-methoxy-5-octoxy-8-quinolyl)amino]pentyl]isoindoline-1,3-dione CAS Name: 2-[4-[(2-tert-butyl-4-ethyl-6-methoxy-5-octoxy-8-quinolinyl)amino]pentyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(2-tert-butyl-4-ethyl-6-methoxy-5-octoxyquinolin-8-yl)amino]pentyl]isoindole-1,3-dione Traditional Name: 2-[4-[(2-tert-butyl-4-ethyl-6-methoxy-5-octoxy-8-quinolyl)amino]pentyl]isoindoline-1,3-quinone Formula: C37H51N3O4 MolecularWeight: 601.81854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C2=C1C(=CC(=N2)C(C)(C)C)CC)NC(C)CCCN3C(=O)C4=CC=CC=C4C3=O)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C2=C1C(=CC(=N2)C(C)(C)C)CC)NC(C)CCCN3C(=O)C4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C37H51N3O4/c1-8-10-11-12-13-16-22-44-34-30(43-7)24-29(33-32(34)26(9-2)23-31(39-33)37(4,5)6)38-25(3)18-17-21-40-35(41)27-19-14-15-20-28(27)36(40)42/h14-15,19-20,23-25,38H,8-13,16-18,21-22H2,1-7H3