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

Systemtic Name: 5-methyl-4,6-bis(oxidanylidene)-3-(phenylmethoxymethyl)-1-pyridin-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(benzyloxymethyl)-5-methyl-4,6-dioxo-1-(2-pyridyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-methyl-4,6-dioxo-3-(phenylmethoxymethyl)-1-(2-pyridinyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-methyl-4,6-dioxo-3-(phenylmethoxymethyl)-1-pyridin-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(benzoxymethyl)-4,6-diketo-5-methyl-1-(2-pyridyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2C(C1=O)C(NC2C3=CC=CC=N3)(COCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CN1C(=O)C2C(C1=O)C(NC2C3=CC=CC=N3)(COCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H21N3O5/c1-24-18(25)15-16(19(24)26)21(20(27)28,12-29-11-13-7-3-2-4-8-13)23-17(15)14-9-5-6-10-22-14/h2-10,15-17,23H,11-12H2,1H3,(H,27,28)