2-[3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]isoindoline-1,3-dione CAS Name: 2-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]isoindole-1,3-dione IUPAC Name: 2-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]isoindole-1,3-dione Traditional Name: 2-[3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]isoindoline-1,3-quinone Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC(CN2C(=O)C3=CC=CC=C3C2=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCC(CN2C(=O)C3=CC=CC=C3C2=O)O

InChI

InChI=1S/C21H22ClNO4/c1-12(2)17-9-18(22)13(3)8-19(17)27-11-14(24)10-23-20(25)15-6-4-5-7-16(15)21(23)26/h4-9,12,14,24H,10-11H2,1-3H3