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

Systemtic Name: 1-(4-cyanophenyl)-5-(2,6-diethylphenyl)-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-benzyl-1-(4-cyanophenyl)-5-(2,6-diethylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(4-cyanophenyl)-5-(2,6-diethylphenyl)-4,6-dioxo-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-benzyl-1-(4-cyanophenyl)-5-(2,6-diethylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-benzyl-1-(4-cyanophenyl)-5-(2,6-diethylphenyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C31H29N3O4 MolecularWeight: 507.57966

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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#N)(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C31H29N3O4/c1-3-21-11-8-12-22(4-2)27(21)34-28(35)24-25(29(34)36)31(30(37)38,17-19-9-6-5-7-10-19)33-26(24)23-15-13-20(18-32)14-16-23/h5-16,24-26,33H,3-4,17H2,1-2H3,(H,37,38)