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

Systemtic Name: 3-butan-2-yl-5-(2,6-diethylphenyl)-4,6-bis(oxidanylidene)-1-pyridin-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(2,6-diethylphenyl)-4,6-dioxo-1-(2-pyridyl)-3-sec-butyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-butan-2-yl-5-(2,6-diethylphenyl)-4,6-dioxo-1-(2-pyridinyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-butan-2-yl-5-(2,6-diethylphenyl)-4,6-dioxo-1-pyridin-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(2,6-diethylphenyl)-4,6-diketo-1-(2-pyridyl)-3-sec-butyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC=CC=N4)(C(C)CC)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC=CC=N4)(C(C)CC)C(=O)O

InChI

InChI=1S/C26H31N3O4/c1-5-15(4)26(25(32)33)20-19(21(28-26)18-13-8-9-14-27-18)23(30)29(24(20)31)22-16(6-2)11-10-12-17(22)7-3/h8-15,19-21,28H,5-7H2,1-4H3,(H,32,33)