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

Systemtic Name: 1-(5-bromanyl-2-oxidanyl-phenyl)-5-(3-chloranyl-4-methyl-phenyl)-3-(cyclohexylmethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(5-bromo-2-hydroxy-phenyl)-5-(3-chloro-4-methyl-phenyl)-3-(cyclohexylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(5-bromo-2-hydroxyphenyl)-5-(3-chloro-4-methylphenyl)-3-(cyclohexylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(5-bromo-2-hydroxyphenyl)-5-(3-chloro-4-methylphenyl)-3-(cyclohexylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(5-bromo-2-hydroxy-phenyl)-5-(3-chloro-4-methyl-phenyl)-3-(cyclohexylmethyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C27H28BrClN2O5 MolecularWeight: 575.87862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=C(C=CC(=C4)Br)O)(CC5CCCCC5)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=C(C=CC(=C4)Br)O)(CC5CCCCC5)C(=O)O)Cl

InChI

InChI=1S/C27H28BrClN2O5/c1-14-7-9-17(12-19(14)29)31-24(33)21-22(25(31)34)27(26(35)36,13-15-5-3-2-4-6-15)30-23(21)18-11-16(28)8-10-20(18)32/h7-12,15,21-23,30,32H,2-6,13H2,1H3,(H,35,36)