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

Systemtic Name: 1-(3-bromanyl-4,5-dimethoxy-phenyl)-3-(hydroxymethyl)-4,6-bis(oxidanylidene)-5-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-benzyl-1-(3-bromo-4,5-dimethoxy-phenyl)-3-(hydroxymethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(3-bromo-4,5-dimethoxyphenyl)-3-(hydroxymethyl)-4,6-dioxo-5-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)-3-(hydroxymethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-benzyl-1-(3-bromo-4,5-dimethoxy-phenyl)-4,6-diketo-3-methylol-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C23H23BrN2O7 MolecularWeight: 519.34192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)C(N2)(CO)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)C(N2)(CO)C(=O)O)Br)OC

InChI

InChI=1S/C23H23BrN2O7/c1-32-15-9-13(8-14(24)19(15)33-2)18-16-17(23(11-27,25-18)22(30)31)21(29)26(20(16)28)10-12-6-4-3-5-7-12/h3-9,16-18,25,27H,10-11H2,1-2H3,(H,30,31)