1-(3,5-dimethyl-4-oxidanyl-phenyl)-5-(4-ethylphenyl)-3-(hydroxymethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(3,5-dimethyl-4-oxidanyl-phenyl)-5-(4-ethylphenyl)-3-(hydroxymethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(4-ethylphenyl)-1-(4-hydroxy-3,5-dimethyl-phenyl)-3-(hydroxymethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(4-ethylphenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-(hydroxymethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(4-ethylphenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-(hydroxymethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(4-ethylphenyl)-1-(4-hydroxy-3,5-dimethyl-phenyl)-4,6-diketo-3-methylol-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C24H26N2O6 MolecularWeight: 438.47304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC(=C(C(=C4)C)O)C)(CO)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC(=C(C(=C4)C)O)C)(CO)C(=O)O

InChI

InChI=1S/C24H26N2O6/c1-4-14-5-7-16(8-6-14)26-21(29)17-18(22(26)30)24(11-27,23(31)32)25-19(17)15-9-12(2)20(28)13(3)10-15/h5-10,17-19,25,27-28H,4,11H2,1-3H3,(H,31,32)