1-(4-acetyloxyphenyl)-5-tert-butyl-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(4-acetyloxyphenyl)-5-tert-butyl-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(4-acetoxyphenyl)-3-benzyl-5-tert-butyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(4-acetyloxyphenyl)-5-tert-butyl-4,6-dioxo-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(4-acetyloxyphenyl)-3-benzyl-5-tert-butyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-acetoxyphenyl)-3-benzyl-5-tert-butyl-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C(C)(C)C)C(N2)(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C(C)(C)C)C(N2)(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H28N2O6/c1-15(29)34-18-12-10-17(11-13-18)21-19-20(23(31)28(22(19)30)25(2,3)4)26(27-21,24(32)33)14-16-8-6-5-7-9-16/h5-13,19-21,27H,14H2,1-4H3,(H,32,33)