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

Systemtic Name: 3-(cyclohexylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylphenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(cyclohexylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(o-tolyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(cyclohexylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(cyclohexylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(cyclohexylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-diketo-5-(o-tolyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C29H32N2O6 MolecularWeight: 504.57418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3C(C2=O)C(NC3C4=CC5=C(C=C4)OCCO5)(CC6CCCCC6)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3C(C2=O)C(NC3C4=CC5=C(C=C4)OCCO5)(CC6CCCCC6)C(=O)O

InChI

InChI=1S/C29H32N2O6/c1-17-7-5-6-10-20(17)31-26(32)23-24(27(31)33)29(28(34)35,16-18-8-3-2-4-9-18)30-25(23)19-11-12-21-22(15-19)37-14-13-36-21/h5-7,10-12,15,18,23-25,30H,2-4,8-9,13-14,16H2,1H3,(H,34,35)