5-methoxy-6-methyl-7-(3-methylbut-2-enoxy)-2-(3-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-3-oxidanylidene-1H-isoindole-4-carboxylic acid

Systemtic Name: 5-methoxy-6-methyl-7-(3-methylbut-2-enoxy)-2-(3-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-3-oxidanylidene-1H-isoindole-4-carboxylic acid Openeye Name: 2-(1-carboxy-2-methyl-butyl)-5-methoxy-6-methyl-7-(3-methylbut-2-enoxy)-3-oxo-isoindoline-4-carboxylic acid CAS Name: 2-(1-hydroxy-3-methyl-1-oxopentan-2-yl)-5-methoxy-6-methyl-7-(3-methylbut-2-enoxy)-3-oxo-1H-isoindole-4-carboxylic acid IUPAC Name: 2-(1-hydroxy-3-methyl-1-oxopentan-2-yl)-5-methoxy-6-methyl-7-(3-methylbut-2-enoxy)-3-oxo-1H-isoindole-4-carboxylic acid Traditional Name: 2-(1-carboxy-2-methyl-butyl)-3-keto-5-methoxy-6-methyl-7-(3-methylbut-2-enoxy)isoindoline-4-carboxylic acid Formula: C22H29NO7 MolecularWeight: 419.46816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N1CC2=C(C(=C(C(=C2C1=O)C(=O)O)OC)C)OCC=C(C)C

Isomeric SMILES

CCC(C)C(C(=O)O)N1CC2=C(C(=C(C(=C2C1=O)C(=O)O)OC)C)OCC=C(C)C

InChI

InChI=1S/C22H29NO7/c1-7-12(4)17(22(27)28)23-10-14-15(20(23)24)16(21(25)26)19(29-6)13(5)18(14)30-9-8-11(2)3/h8,12,17H,7,9-10H2,1-6H3,(H,25,26)(H,27,28)