(1-phenylpyrazol-4-yl)methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid (1-phenylpyrazol-4-yl)methyl 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)COC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

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