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

Systemtic Name: 3-butyl-5-tert-butyl-4,6-bis(oxidanylidene)-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-butyl-5-tert-butyl-4,6-dioxo-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-butyl-5-tert-butyl-4,6-dioxo-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-butyl-5-tert-butyl-4,6-dioxo-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-butyl-5-tert-butyl-4,6-diketo-1-(4-phenylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C27H32N2O4 MolecularWeight: 448.55398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2C(C(N1)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N(C2=O)C(C)(C)C)C(=O)O

Isomeric SMILES

CCCCC1(C2C(C(N1)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N(C2=O)C(C)(C)C)C(=O)O

InChI

InChI=1S/C27H32N2O4/c1-5-6-16-27(25(32)33)21-20(23(30)29(24(21)31)26(2,3)4)22(28-27)19-14-12-18(13-15-19)17-10-8-7-9-11-17/h7-15,20-22,28H,5-6,16H2,1-4H3,(H,32,33)