3-methylbutyl 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 3-methylbutyl 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: isopentyl 2-(4-acetamidophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-acetamidophenyl)-1,3-dioxo-5-isoindolecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-acetamidophenyl)-1,3-diketo-isoindoline-5-carboxylic acid isoamyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC(C)CCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H22N2O5/c1-13(2)10-11-29-22(28)15-4-9-18-19(12-15)21(27)24(20(18)26)17-7-5-16(6-8-17)23-14(3)25/h4-9,12-13H,10-11H2,1-3H3,(H,23,25)