2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid 2-phthalimidoethyl ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C22H19N3O4/c1-14-13-15(2)25(23-14)17-9-7-16(8-10-17)22(28)29-12-11-24-20(26)18-5-3-4-6-19(18)21(24)27/h3-10,13H,11-12H2,1-2H3