3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-1-(2-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-4,6-diketo-1-(2-methoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C31H38N2O5 MolecularWeight: 518.64382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC=CC=C4OC)(CC5CCCCC5)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC=CC=C4OC)(CC5CCCCC5)C(=O)O

InChI

InChI=1S/C31H38N2O5/c1-4-20-14-11-15-21(5-2)27(20)33-28(34)24-25(29(33)35)31(30(36)37,18-19-12-7-6-8-13-19)32-26(24)22-16-9-10-17-23(22)38-3/h9-11,14-17,19,24-26,32H,4-8,12-13,18H2,1-3H3,(H,36,37)