2-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]isoindole-1,3-dione Openeye Name: 2-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]isoindoline-1,3-dione CAS Name: 2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione Traditional Name: 2-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]isoindoline-1,3-quinone Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O)O

InChI

InChI=1S/C21H24N2O4/c1-21(2,3)22-12-15(24)13-27-16-10-8-14(9-11-16)23-19(25)17-6-4-5-7-18(17)20(23)26/h4-11,15,22,24H,12-13H2,1-3H3