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

Systemtic Name: 1-(1-benzofuran-2-yl)-5-(2,6-diethylphenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(benzofuran-2-yl)-5-(2,6-diethylphenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(2-benzofuranyl)-5-(2,6-diethylphenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(1-benzofuran-2-yl)-5-(2,6-diethylphenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(benzofuran-2-yl)-5-(2,6-diethylphenyl)-3-(4-hydroxybenzyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C32H30N2O6 MolecularWeight: 538.5904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC5=CC=CC=C5O4)(CC6=CC=C(C=C6)O)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC5=CC=CC=C5O4)(CC6=CC=C(C=C6)O)C(=O)O

InChI

InChI=1S/C32H30N2O6/c1-3-19-9-7-10-20(4-2)28(19)34-29(36)25-26(30(34)37)32(31(38)39,17-18-12-14-22(35)15-13-18)33-27(25)24-16-21-8-5-6-11-23(21)40-24/h5-16,25-27,33,35H,3-4,17H2,1-2H3,(H,38,39)