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

Systemtic Name: 1-(5-bromanyl-2-oxidanyl-phenyl)-5-tert-butyl-3-(cyclohexylmethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(5-bromo-2-hydroxy-phenyl)-5-tert-butyl-3-(cyclohexylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(5-bromo-2-hydroxyphenyl)-5-tert-butyl-3-(cyclohexylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(5-bromo-2-hydroxyphenyl)-5-tert-butyl-3-(cyclohexylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(5-bromo-2-hydroxy-phenyl)-5-tert-butyl-3-(cyclohexylmethyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C24H31BrN2O5 MolecularWeight: 507.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2C(C1=O)C(NC2C3=C(C=CC(=C3)Br)O)(CC4CCCCC4)C(=O)O

Isomeric SMILES

CC(C)(C)N1C(=O)C2C(C1=O)C(NC2C3=C(C=CC(=C3)Br)O)(CC4CCCCC4)C(=O)O

InChI

InChI=1S/C24H31BrN2O5/c1-23(2,3)27-20(29)17-18(21(27)30)24(22(31)32,12-13-7-5-4-6-8-13)26-19(17)15-11-14(25)9-10-16(15)28/h9-11,13,17-19,26,28H,4-8,12H2,1-3H3,(H,31,32)