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

Systemtic Name: 3-butyl-5-tert-butyl-1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-butyl-5-tert-butyl-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-butyl-5-tert-butyl-1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-butyl-5-tert-butyl-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-butyl-5-tert-butyl-4,6-diketo-1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C26H34N4O5 MolecularWeight: 482.57196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O5/c1-7-8-14-26(24(34)35)19-18(21(31)29(23(19)33)25(3,4)5)20(27-26)17-15(2)28(6)30(22(17)32)16-12-10-9-11-13-16/h9-13,18-20,27H,7-8,14H2,1-6H3,(H,34,35)