2-[3-(2,5-dimethylpyrrol-1-yl)-2-oxidanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(2,5-dimethylpyrrol-1-yl)-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[3-(2,5-dimethylpyrrol-1-yl)-2-hydroxy-propyl]isoindoline-1,3-dione CAS Name: 2-[3-(2,5-dimethyl-1-pyrrolyl)-2-hydroxypropyl]isoindole-1,3-dione IUPAC Name: 2-[3-(2,5-dimethylpyrrol-1-yl)-2-hydroxypropyl]isoindole-1,3-dione Traditional Name: 2-[3-(2,5-dimethylpyrrol-1-yl)-2-hydroxy-propyl]isoindoline-1,3-quinone Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC(CN2C(=O)C3=CC=CC=C3C2=O)O)C

Isomeric SMILES

CC1=CC=C(N1CC(CN2C(=O)C3=CC=CC=C3C2=O)O)C

InChI

InChI=1S/C17H18N2O3/c1-11-7-8-12(2)18(11)9-13(20)10-19-16(21)14-5-3-4-6-15(14)17(19)22/h3-8,13,20H,9-10H2,1-2H3