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

Systemtic Name: 1-(4-acetyloxyphenyl)-5-cyclohexyl-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(4-acetoxyphenyl)-3-benzyl-5-cyclohexyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(4-acetyloxyphenyl)-5-cyclohexyl-4,6-dioxo-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(4-acetyloxyphenyl)-3-benzyl-5-cyclohexyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-acetoxyphenyl)-3-benzyl-5-cyclohexyl-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C28H30N2O6 MolecularWeight: 490.5476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4CCCCC4)C(N2)(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4CCCCC4)C(N2)(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H30N2O6/c1-17(31)36-21-14-12-19(13-15-21)24-22-23(26(33)30(25(22)32)20-10-6-3-7-11-20)28(29-24,27(34)35)16-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20,22-24,29H,3,6-7,10-11,16H2,1H3,(H,34,35)