1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-ethanoylphenyl)-3-(1H-indol-3-ylmethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-ethanoylphenyl)-3-(1H-indol-3-ylmethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(4-acetylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(4-acetylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(4-acetylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(4-acetylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-3-ylmethyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C32H27N3O7 MolecularWeight: 565.57268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC5=C(C=C4)OCCO5)(CC6=CNC7=CC=CC=C76)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC5=C(C=C4)OCCO5)(CC6=CNC7=CC=CC=C76)C(=O)O

InChI

InChI=1S/C32H27N3O7/c1-17(36)18-6-9-21(10-7-18)35-29(37)26-27(30(35)38)32(31(39)40,15-20-16-33-23-5-3-2-4-22(20)23)34-28(26)19-8-11-24-25(14-19)42-13-12-41-24/h2-11,14,16,26-28,33-34H,12-13,15H2,1H3,(H,39,40)