2-[4-(3-methylbutoxycarbonyl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[4-(3-methylbutoxycarbonyl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-(4-isopentyloxycarbonylphenyl)-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[4-[3-methylbutoxy(oxo)methyl]phenyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[4-(3-methylbutoxycarbonyl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-(4-isoamoxycarbonylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O

InChI

InChI=1S/C21H19NO6/c1-12(2)9-10-28-21(27)13-3-6-15(7-4-13)22-18(23)16-8-5-14(20(25)26)11-17(16)19(22)24/h3-8,11-12H,9-10H2,1-2H3,(H,25,26)