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

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)-4,6-bis(oxidanylidene)-3,5-bis(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3,5-dibenzyl-1-(5-bromo-2-methoxy-phenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(5-bromo-2-methoxyphenyl)-4,6-dioxo-3,5-bis(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3,5-dibenzyl-1-(5-bromo-2-methoxyphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3,5-dibenzyl-1-(5-bromo-2-methoxy-phenyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C28H25BrN2O5 MolecularWeight: 549.4125

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)C(N2)(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)C(N2)(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H25BrN2O5/c1-36-21-13-12-19(29)14-20(21)24-22-23(26(33)31(25(22)32)16-18-10-6-3-7-11-18)28(30-24,27(34)35)15-17-8-4-2-5-9-17/h2-14,22-24,30H,15-16H2,1H3,(H,34,35)