2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid 2-phthalimidoethyl ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H19N3O4/c26-20(11-10-16-14-23-25(15-16)17-6-2-1-3-7-17)29-13-12-24-21(27)18-8-4-5-9-19(18)22(24)28/h1-9,14-15H,10-13H2