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

Systemtic Name: 1-(5-bromanyl-2-oxidanyl-phenyl)-5-(2,6-diethylphenyl)-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-benzyl-1-(5-bromo-2-hydroxy-phenyl)-5-(2,6-diethylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(5-bromo-2-hydroxyphenyl)-5-(2,6-diethylphenyl)-4,6-dioxo-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-benzyl-1-(5-bromo-2-hydroxyphenyl)-5-(2,6-diethylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-benzyl-1-(5-bromo-2-hydroxy-phenyl)-5-(2,6-diethylphenyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C30H29BrN2O5 MolecularWeight: 577.46566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=C(C=CC(=C4)Br)O)(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=C(C=CC(=C4)Br)O)(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H29BrN2O5/c1-3-18-11-8-12-19(4-2)26(18)33-27(35)23-24(28(33)36)30(29(37)38,16-17-9-6-5-7-10-17)32-25(23)21-15-20(31)13-14-22(21)34/h5-15,23-25,32,34H,3-4,16H2,1-2H3,(H,37,38)