5-butyl-3-(1-hydroxyethyl)-1-(3-methoxy-4-oxidanyl-phenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 5-butyl-3-(1-hydroxyethyl)-1-(3-methoxy-4-oxidanyl-phenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-butyl-3-(1-hydroxyethyl)-1-(4-hydroxy-3-methoxy-phenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-butyl-3-(1-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-butyl-3-(1-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-butyl-3-(1-hydroxyethyl)-1-(4-hydroxy-3-methoxy-phenyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C20H26N2O7 MolecularWeight: 406.42964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC(=C(C=C3)O)OC)(C(C)O)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC(=C(C=C3)O)OC)(C(C)O)C(=O)O

InChI

InChI=1S/C20H26N2O7/c1-4-5-8-22-17(25)14-15(18(22)26)20(10(2)23,19(27)28)21-16(14)11-6-7-12(24)13(9-11)29-3/h6-7,9-10,14-16,21,23-24H,4-5,8H2,1-3H3,(H,27,28)