2-[4-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propoxy]phenyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propoxy]phenyl]isoindole-1,3-dione Openeye Name: 2-[4-[(2S)-2-hydroxy-3-(2-methylphenoxy)propoxy]phenyl]isoindoline-1,3-dione CAS Name: 2-[4-[(2S)-2-hydroxy-3-(2-methylphenoxy)propoxy]phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(2S)-2-hydroxy-3-(2-methylphenoxy)propoxy]phenyl]isoindole-1,3-dione Traditional Name: 2-[4-[(2S)-2-hydroxy-3-(2-methylphenoxy)propoxy]phenyl]isoindoline-1,3-quinone Formula: C24H21NO5 MolecularWeight: 403.42724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(COC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@H](COC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C24H21NO5/c1-16-6-2-5-9-22(16)30-15-18(26)14-29-19-12-10-17(11-13-19)25-23(27)20-7-3-4-8-21(20)24(25)28/h2-13,18,26H,14-15H2,1H3/t18-/m0/s1