3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-4,6-bis(oxidanylidene)-1-[4-(2-phenylethenyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-4,6-bis(oxidanylidene)-1-[4-(2-phenylethenyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-4,6-dioxo-1-(4-styrylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-4,6-dioxo-1-[4-(2-phenylethenyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-4,6-dioxo-1-[4-(2-phenylethenyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(cyclohexylmethyl)-5-(2,6-diethylphenyl)-4,6-diketo-1-(4-styrylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C38H42N2O4 MolecularWeight: 590.75108

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=C(C=C4)C=CC5=CC=CC=C5)(CC6CCCCC6)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)C=CC5=CC=CC=C5)(CC6CCCCC6)C(=O)O

InChI

InChI=1S/C38H42N2O4/c1-3-28-16-11-17-29(4-2)34(28)40-35(41)31-32(36(40)42)38(37(43)44,24-27-14-9-6-10-15-27)39-33(31)30-22-20-26(21-23-30)19-18-25-12-7-5-8-13-25/h5,7-8,11-13,16-23,27,31-33,39H,3-4,6,9-10,14-15,24H2,1-2H3,(H,43,44)