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

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)-5-(4-ethanoylphenyl)-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(4-acetylphenyl)-3-benzyl-1-(5-bromo-2-methoxy-phenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(4-acetylphenyl)-1-(5-bromo-2-methoxyphenyl)-4,6-dioxo-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(4-acetylphenyl)-3-benzyl-1-(5-bromo-2-methoxyphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(4-acetylphenyl)-3-benzyl-1-(5-bromo-2-methoxy-phenyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C29H25BrN2O6 MolecularWeight: 577.4226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=C(C=CC(=C4)Br)OC)(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=C(C=CC(=C4)Br)OC)(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H25BrN2O6/c1-16(33)18-8-11-20(12-9-18)32-26(34)23-24(27(32)35)29(28(36)37,15-17-6-4-3-5-7-17)31-25(23)21-14-19(30)10-13-22(21)38-2/h3-14,23-25,31H,15H2,1-2H3,(H,36,37)