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

Systemtic Name: 5-butyl-3-methyl-4,6-bis(oxidanylidene)-1-[4-(2-phenylethenyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-butyl-3-methyl-4,6-dioxo-1-(4-styrylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-butyl-3-methyl-4,6-dioxo-1-[4-(2-phenylethenyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-butyl-3-methyl-4,6-dioxo-1-[4-(2-phenylethenyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-butyl-4,6-diketo-3-methyl-1-(4-styrylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)C=CC4=CC=CC=C4)(C)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)C=CC4=CC=CC=C4)(C)C(=O)O

InChI

InChI=1S/C26H28N2O4/c1-3-4-16-28-23(29)20-21(24(28)30)26(2,25(31)32)27-22(20)19-14-12-18(13-15-19)11-10-17-8-6-5-7-9-17/h5-15,20-22,27H,3-4,16H2,1-2H3,(H,31,32)