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

Systemtic Name: 5-tert-butyl-1-(2,5-dimethylphenyl)-4,6-bis(oxidanylidene)-3-(phenylmethoxymethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(benzyloxymethyl)-5-tert-butyl-1-(2,5-dimethylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(2,5-dimethylphenyl)-4,6-dioxo-3-(phenylmethoxymethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-tert-butyl-1-(2,5-dimethylphenyl)-4,6-dioxo-3-(phenylmethoxymethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(benzoxymethyl)-5-tert-butyl-1-(2,5-dimethylphenyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C27H32N2O5 MolecularWeight: 464.55338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2C3C(C(=O)N(C3=O)C(C)(C)C)C(N2)(COCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2C3C(C(=O)N(C3=O)C(C)(C)C)C(N2)(COCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H32N2O5/c1-16-11-12-17(2)19(13-16)22-20-21(24(31)29(23(20)30)26(3,4)5)27(28-22,25(32)33)15-34-14-18-9-7-6-8-10-18/h6-13,20-22,28H,14-15H2,1-5H3,(H,32,33)