2-[4-[(5-oxidanyl-3,4-dihydro-2H-chromen-3-yl)-propyl-amino]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(5-oxidanyl-3,4-dihydro-2H-chromen-3-yl)-propyl-amino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(5-hydroxychroman-3-yl)-propyl-amino]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(5-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)-propylamino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(5-hydroxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(5-hydroxychroman-3-yl)-propyl-amino]butyl]isoindoline-1,3-quinone Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCN1C(=O)C2=CC=CC=C2C1=O)C3CC4=C(C=CC=C4O)OC3

Isomeric SMILES

CCCN(CCCCN1C(=O)C2=CC=CC=C2C1=O)C3CC4=C(C=CC=C4O)OC3

InChI

InChI=1S/C24H28N2O4/c1-2-12-25(17-15-20-21(27)10-7-11-22(20)30-16-17)13-5-6-14-26-23(28)18-8-3-4-9-19(18)24(26)29/h3-4,7-11,17,27H,2,5-6,12-16H2,1H3