[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 2-(4-acetamidophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-acetamidophenyl)-1,3-dioxo-5-isoindolecarboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-acetamidophenyl)-1,3-diketo-isoindoline-5-carboxylic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C23H23N3O6 MolecularWeight: 437.44522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O6/c1-4-13(2)24-20(28)12-32-23(31)15-5-10-18-19(11-15)22(30)26(21(18)29)17-8-6-16(7-9-17)25-14(3)27/h5-11,13H,4,12H2,1-3H3,(H,24,28)(H,25,27)