2-[4-[(5-butoxy-6-methoxy-quinolin-8-yl)-methyl-amino]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(5-butoxy-6-methoxy-quinolin-8-yl)-methyl-amino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(5-butoxy-6-methoxy-8-quinolyl)-methyl-amino]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(5-butoxy-6-methoxy-8-quinolinyl)-methylamino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(5-butoxy-6-methoxyquinolin-8-yl)-methylamino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(5-butoxy-6-methoxy-8-quinolyl)-methyl-amino]butyl]isoindoline-1,3-quinone Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C2=C1C=CC=N2)N(C)CCCCN3C(=O)C4=CC=CC=C4C3=O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C2=C1C=CC=N2)N(C)CCCCN3C(=O)C4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C27H31N3O4/c1-4-5-17-34-25-21-13-10-14-28-24(21)22(18-23(25)33-3)29(2)15-8-9-16-30-26(31)19-11-6-7-12-20(19)27(30)32/h6-7,10-14,18H,4-5,8-9,15-17H2,1-3H3