1-(1-benzofuran-2-yl)-3-(hydroxymethyl)-4,6-bis(oxidanylidene)-5-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(1-benzofuran-2-yl)-3-(hydroxymethyl)-4,6-bis(oxidanylidene)-5-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(benzofuran-2-yl)-5-benzyl-3-(hydroxymethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(2-benzofuranyl)-3-(hydroxymethyl)-4,6-dioxo-5-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(1-benzofuran-2-yl)-5-benzyl-3-(hydroxymethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(benzofuran-2-yl)-5-benzyl-4,6-diketo-3-methylol-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C23H20N2O6 MolecularWeight: 420.4147

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)C(NC3C4=CC5=CC=CC=C5O4)(CO)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)C(NC3C4=CC5=CC=CC=C5O4)(CO)C(=O)O

InChI

InChI=1S/C23H20N2O6/c26-12-23(22(29)30)18-17(19(24-23)16-10-14-8-4-5-9-15(14)31-16)20(27)25(21(18)28)11-13-6-2-1-3-7-13/h1-10,17-19,24,26H,11-12H2,(H,29,30)