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

Systemtic Name: 5-tert-butyl-1-(4-dimethylaminophenyl)-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-benzyl-5-tert-butyl-1-(4-dimethylaminophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(4-dimethylaminophenyl)-4,6-dioxo-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-benzyl-5-tert-butyl-1-(4-dimethylaminophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-benzyl-5-tert-butyl-1-(4-dimethylaminophenyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)N(C)C)(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(C)N1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)N(C)C)(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H31N3O4/c1-25(2,3)29-22(30)19-20(23(29)31)26(24(32)33,15-16-9-7-6-8-10-16)27-21(19)17-11-13-18(14-12-17)28(4)5/h6-14,19-21,27H,15H2,1-5H3,(H,32,33)