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

Systemtic Name: 2-[4-[(5-heptoxy-6-methoxy-4-methyl-quinolin-8-yl)-methyl-amino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(5-heptoxy-6-methoxy-4-methyl-8-quinolyl)-methyl-amino]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(5-heptoxy-6-methoxy-4-methyl-8-quinolinyl)-methylamino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(5-heptoxy-6-methoxy-4-methylquinolin-8-yl)-methylamino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(5-heptoxy-6-methoxy-4-methyl-8-quinolyl)-methyl-amino]butyl]isoindoline-1,3-quinone Formula: C31H39N3O4 MolecularWeight: 517.65906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C2=NC=CC(=C12)C)N(C)CCCCN3C(=O)C4=CC=CC=C4C3=O)OC

Isomeric SMILES

CCCCCCCOC1=C(C=C(C2=NC=CC(=C12)C)N(C)CCCCN3C(=O)C4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C31H39N3O4/c1-5-6-7-8-13-20-38-29-26(37-4)21-25(28-27(29)22(2)16-17-32-28)33(3)18-11-12-19-34-30(35)23-14-9-10-15-24(23)31(34)36/h9-10,14-17,21H,5-8,11-13,18-20H2,1-4H3