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

Systemtic Name: 1-(2,5-dimethylphenyl)-5-(4-ethanoylphenyl)-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(4-acetylphenyl)-3-benzyl-1-(2,5-dimethylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(4-acetylphenyl)-1-(2,5-dimethylphenyl)-4,6-dioxo-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(4-acetylphenyl)-3-benzyl-1-(2,5-dimethylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(4-acetylphenyl)-3-benzyl-1-(2,5-dimethylphenyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C30H28N2O5 MolecularWeight: 496.55372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)C)C(N2)(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)C)C(N2)(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H28N2O5/c1-17-9-10-18(2)23(15-17)26-24-25(30(31-26,29(36)37)16-20-7-5-4-6-8-20)28(35)32(27(24)34)22-13-11-21(12-14-22)19(3)33/h4-15,24-26,31H,16H2,1-3H3,(H,36,37)