5-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-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-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-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-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-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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC(=CC(=C3C(=O)OC)OC)OC)(CC4=CC=C(C=C4)O)C(=O)O

Isomeric SMILES

CCCCN1C(=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/c1-5-6-11-30-24(32)21-22(25(30)33)28(27(35)36,14-15-7-9-16(31)10-8-15)29-23(21)18-12-17(37-2)13-19(38-3)20(18)26(34)39-4/h7-10,12-13,21-23,29,31H,5-6,11,14H2,1-4H3,(H,35,36)