(3-fluoranyl-4-methoxy-phenyl)methyl 2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboperoxoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboperoxoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 2-(2-methylindolin-1-yl)pyrimidine-5-carboperoxoate CAS Name: 2-(2-methyl-2,3-dihydroindol-1-yl)-5-pyrimidinecarboperoxoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboperoxoate Traditional Name: 2-(2-methylindolin-1-yl)pyrimidine-5-carboperoxoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C22H20FN3O4 MolecularWeight: 409.410303

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C3=NC=C(C=N3)C(=O)OOCC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC1CC2=CC=CC=C2N1C3=NC=C(C=N3)C(=O)OOCC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C22H20FN3O4/c1-14-9-16-5-3-4-6-19(16)26(14)22-24-11-17(12-25-22)21(27)30-29-13-15-7-8-20(28-2)18(23)10-15/h3-8,10-12,14H,9,13H2,1-2H3