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

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (1-phenylpyrazol-4-yl)methyl 2-(4-ethoxyphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-ethoxyphenyl)-1,3-dioxo-5-isoindolecarboxylic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-p-phenetyl-isoindoline-5-carboxylic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C27H21N3O5 MolecularWeight: 467.47274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O5/c1-2-34-22-11-9-21(10-12-22)30-25(31)23-13-8-19(14-24(23)26(30)32)27(33)35-17-18-15-28-29(16-18)20-6-4-3-5-7-20/h3-16H,2,17H2,1H3