2-[4-[3-(2-methylimidazol-1-yl)-2-oxidanyl-propoxy]phenyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[3-(2-methylimidazol-1-yl)-2-oxidanyl-propoxy]phenyl]isoindole-1,3-dione Openeye Name: 2-[4-[2-hydroxy-3-(2-methylimidazol-1-yl)propoxy]phenyl]isoindoline-1,3-dione CAS Name: 2-[4-[2-hydroxy-3-(2-methyl-1-imidazolyl)propoxy]phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-[2-hydroxy-3-(2-methylimidazol-1-yl)propoxy]phenyl]isoindole-1,3-dione Traditional Name: 2-[4-[2-hydroxy-3-(2-methylimidazol-1-yl)propoxy]phenyl]isoindoline-1,3-quinone Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC(COC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

CC1=NC=CN1CC(COC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C21H19N3O4/c1-14-22-10-11-23(14)12-16(25)13-28-17-8-6-15(7-9-17)24-20(26)18-4-2-3-5-19(18)21(24)27/h2-11,16,25H,12-13H2,1H3