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

Systemtic Name: 1-(3-bromanyl-4,5-dimethoxy-phenyl)-5-(2-methylphenyl)-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-benzyl-1-(3-bromo-4,5-dimethoxy-phenyl)-5-(o-tolyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(3-bromo-4,5-dimethoxyphenyl)-5-(2-methylphenyl)-4,6-dioxo-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-benzyl-1-(3-bromo-4,5-dimethoxyphenyl)-5-(2-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-benzyl-1-(3-bromo-4,5-dimethoxy-phenyl)-4,6-diketo-5-(o-tolyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C29H27BrN2O6 MolecularWeight: 579.43848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3C(C2=O)C(NC3C4=CC(=C(C(=C4)Br)OC)OC)(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3C(C2=O)C(NC3C4=CC(=C(C(=C4)Br)OC)OC)(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H27BrN2O6/c1-16-9-7-8-12-20(16)32-26(33)22-23(27(32)34)29(28(35)36,15-17-10-5-4-6-11-17)31-24(22)18-13-19(30)25(38-3)21(14-18)37-2/h4-14,22-24,31H,15H2,1-3H3,(H,35,36)