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

Systemtic Name: 3-(carboxymethyl)-4,6-bis(oxidanylidene)-5-(phenylmethyl)-1-pyridin-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-benzyl-3-(carboxymethyl)-4,6-dioxo-1-(2-pyridyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(carboxymethyl)-4,6-dioxo-5-(phenylmethyl)-1-(2-pyridinyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-benzyl-3-(carboxymethyl)-4,6-dioxo-1-pyridin-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-benzyl-3-(carboxymethyl)-4,6-diketo-1-(2-pyridyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)C(NC3C4=CC=CC=N4)(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)C(NC3C4=CC=CC=N4)(CC(=O)O)C(=O)O

InChI

InChI=1S/C21H19N3O6/c25-14(26)10-21(20(29)30)16-15(17(23-21)13-8-4-5-9-22-13)18(27)24(19(16)28)11-12-6-2-1-3-7-12/h1-9,15-17,23H,10-11H2,(H,25,26)(H,29,30)