1-[3,4-bis(oxidanyl)phenyl]-5-butyl-3-(2-methylpropyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-5-butyl-3-(2-methylpropyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-butyl-1-(3,4-dihydroxyphenyl)-3-isobutyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-butyl-1-(3,4-dihydroxyphenyl)-3-(2-methylpropyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-butyl-1-(3,4-dihydroxyphenyl)-3-(2-methylpropyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-butyl-1-(3,4-dihydroxyphenyl)-3-isobutyl-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC(=C(C=C3)O)O)(CC(C)C)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC(=C(C=C3)O)O)(CC(C)C)C(=O)O

InChI

InChI=1S/C21H28N2O6/c1-4-5-8-23-18(26)15-16(19(23)27)21(20(28)29,10-11(2)3)22-17(15)12-6-7-13(24)14(25)9-12/h6-7,9,11,15-17,22,24-25H,4-5,8,10H2,1-3H3,(H,28,29)