3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-1-(4-methoxycarbonylphenyl)-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-(4-methoxycarbonylphenyl)-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-(4-methoxycarbonylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-1-(4-methoxycarbonylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-1-(4-methoxycarbonylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-carbomethoxyphenyl)-3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-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=CC=C(C=C4)C(=O)OC)(CC5CCCCC5)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)C(=O)OC)(CC5CCCCC5)C(=O)O

InChI

InChI=1S/C32H38N2O6/c1-4-20-12-9-13-21(5-2)27(20)34-28(35)24-25(29(34)36)32(31(38)39,18-19-10-7-6-8-11-19)33-26(24)22-14-16-23(17-15-22)30(37)40-3/h9,12-17,19,24-26,33H,4-8,10-11,18H2,1-3H3,(H,38,39)