4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid 4-phthalimidobutyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H21N3O4/c27-21-19-10-4-5-11-20(19)22(28)26(21)12-6-7-13-30-23(29)18-14-24-25(16-18)15-17-8-2-1-3-9-17/h1-5,8-11,14,16H,6-7,12-13,15H2