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

Systemtic Name: 4,6-bis(oxidanylidene)-5-(phenylmethyl)-3-propan-2-yl-1-pyridin-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-benzyl-3-isopropyl-4,6-dioxo-1-(2-pyridyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 4,6-dioxo-5-(phenylmethyl)-3-propan-2-yl-1-(2-pyridinyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-benzyl-4,6-dioxo-3-propan-2-yl-1-pyridin-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-benzyl-3-isopropyl-4,6-diketo-1-(2-pyridyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C2C(C(N1)C3=CC=CC=N3)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)C1(C2C(C(N1)C3=CC=CC=N3)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H23N3O4/c1-13(2)22(21(28)29)17-16(18(24-22)15-10-6-7-11-23-15)19(26)25(20(17)27)12-14-8-4-3-5-9-14/h3-11,13,16-18,24H,12H2,1-2H3,(H,28,29)