5-tert-butyl-1-(3,5-dimethoxy-2-methoxycarbonyl-phenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-1-(3,5-dimethoxy-2-methoxycarbonyl-phenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-(3,5-dimethoxy-2-methoxycarbonyl-phenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(3,5-dimethoxy-2-methoxycarbonylphenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-tert-butyl-1-(3,5-dimethoxy-2-methoxycarbonylphenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-(2-carbomethoxy-3,5-dimethoxy-phenyl)-3-(4-hydroxybenzyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C28H32N2O9 MolecularWeight: 540.56168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2C(C1=O)C(NC2C3=CC(=CC(=C3C(=O)OC)OC)OC)(CC4=CC=C(C=C4)O)C(=O)O

Isomeric SMILES

CC(C)(C)N1C(=O)C2C(C1=O)C(NC2C3=CC(=CC(=C3C(=O)OC)OC)OC)(CC4=CC=C(C=C4)O)C(=O)O

InChI

InChI=1S/C28H32N2O9/c1-27(2,3)30-23(32)20-21(24(30)33)28(26(35)36,13-14-7-9-15(31)10-8-14)29-22(20)17-11-16(37-4)12-18(38-5)19(17)25(34)39-6/h7-12,20-22,29,31H,13H2,1-6H3,(H,35,36)