3-butan-2-yl-5-(2,6-diethylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-butan-2-yl-5-(2,6-diethylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(2,6-diethylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-dioxo-3-sec-butyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-butan-2-yl-5-(2,6-diethylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-butan-2-yl-5-(2,6-diethylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(2,6-diethylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-diketo-3-sec-butyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C29H34N2O6 MolecularWeight: 506.59006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC5=C(C=C4)OCCO5)(C(C)CC)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC5=C(C=C4)OCCO5)(C(C)CC)C(=O)O

InChI

InChI=1S/C29H34N2O6/c1-5-16(4)29(28(34)35)23-22(24(30-29)19-11-12-20-21(15-19)37-14-13-36-20)26(32)31(27(23)33)25-17(6-2)9-8-10-18(25)7-3/h8-12,15-16,22-24,30H,5-7,13-14H2,1-4H3,(H,34,35)