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

Systemtic Name: 1-(3-bromanyl-4,5-dimethoxy-phenyl)-5-butyl-4,6-bis(oxidanylidene)-3-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(3-bromo-4,5-dimethoxy-phenyl)-5-butyl-4,6-dioxo-3-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(3-bromo-4,5-dimethoxyphenyl)-5-butyl-4,6-dioxo-3-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(3-bromo-4,5-dimethoxyphenyl)-5-butyl-4,6-dioxo-3-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(3-bromo-4,5-dimethoxy-phenyl)-5-butyl-4,6-diketo-3-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C25H27BrN2O6 MolecularWeight: 531.39568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27BrN2O6/c1-4-5-11-28-22(29)18-19(23(28)30)25(24(31)32,15-9-7-6-8-10-15)27-20(18)14-12-16(26)21(34-3)17(13-14)33-2/h6-10,12-13,18-20,27H,4-5,11H2,1-3H3,(H,31,32)