(1-phenylpyrazol-4-yl)methyl 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (1-phenylpyrazol-4-yl)methyl 2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxylic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxylic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O5/c1-30-11-5-10-25-21(27)19-9-8-17(12-20(19)22(25)28)23(29)31-15-16-13-24-26(14-16)18-6-3-2-4-7-18/h2-4,6-9,12-14H,5,10-11,15H2,1H3