3-(cyclohexylmethyl)-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-(cyclohexylmethyl)-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: 3-(cyclohexylmethyl)-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 CAS Name: 3-(cyclohexylmethyl)-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-(cyclohexylmethyl)-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: 3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C32H38N2O6 MolecularWeight: 546.65392

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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)(CC6CCCCC6)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC5=C(C=C4)OCCO5)(CC6CCCCC6)C(=O)O

InChI

InChI=1S/C32H38N2O6/c1-3-20-11-8-12-21(4-2)28(20)34-29(35)25-26(30(34)36)32(31(37)38,18-19-9-6-5-7-10-19)33-27(25)22-13-14-23-24(17-22)40-16-15-39-23/h8,11-14,17,19,25-27,33H,3-7,9-10,15-16,18H2,1-2H3,(H,37,38)