5-butyl-3-[(4-hydroxyphenyl)methyl]-4,6-bis(oxidanylidene)-1-pyridin-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 5-butyl-3-[(4-hydroxyphenyl)methyl]-4,6-bis(oxidanylidene)-1-pyridin-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-butyl-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1-(2-pyridyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-butyl-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1-(2-pyridinyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-butyl-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1-pyridin-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-butyl-3-(4-hydroxybenzyl)-4,6-diketo-1-(2-pyridyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC=CC=N3)(CC4=CC=C(C=C4)O)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC=CC=N3)(CC4=CC=C(C=C4)O)C(=O)O

InChI

InChI=1S/C23H25N3O5/c1-2-3-12-26-20(28)17-18(21(26)29)23(22(30)31,13-14-7-9-15(27)10-8-14)25-19(17)16-6-4-5-11-24-16/h4-11,17-19,25,27H,2-3,12-13H2,1H3,(H,30,31)