4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]-2-propenoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl (E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]acrylic acid 4-phthalimidobutyl ester Formula: C26H24FN3O4 MolecularWeight: 461.484863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C=CC(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)/C=C/C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H24FN3O4/c1-17-21(18(2)30(28-17)20-11-9-19(27)10-12-20)13-14-24(31)34-16-6-5-15-29-25(32)22-7-3-4-8-23(22)26(29)33/h3-4,7-14H,5-6,15-16H2,1-2H3/b14-13+