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

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)-5-cyclohexyl-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-methoxy-phenyl)-5-cyclohexyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(5-bromo-2-methoxyphenyl)-5-cyclohexyl-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-methoxyphenyl)-5-cyclohexyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-benzyl-1-(5-bromo-2-methoxy-phenyl)-5-cyclohexyl-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C27H29BrN2O5 MolecularWeight: 541.43356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2C3C(C(=O)N(C3=O)C4CCCCC4)C(N2)(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2C3C(C(=O)N(C3=O)C4CCCCC4)C(N2)(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H29BrN2O5/c1-35-20-13-12-17(28)14-19(20)23-21-22(25(32)30(24(21)31)18-10-6-3-7-11-18)27(29-23,26(33)34)15-16-8-4-2-5-9-16/h2,4-5,8-9,12-14,18,21-23,29H,3,6-7,10-11,15H2,1H3,(H,33,34)