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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-hydroxyethyl)-4,6-bis(oxidanylidene)-5-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-hydroxyethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-hydroxyethyl)-4,6-dioxo-5-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-hydroxyethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-hydroxyethyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C24H24N2O7 MolecularWeight: 452.45656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(C2C(C(N1)C3=CC4=C(C=C3)OCCO4)C(=O)N(C2=O)CC5=CC=CC=C5)C(=O)O)O

Isomeric SMILES

CC(C1(C2C(C(N1)C3=CC4=C(C=C3)OCCO4)C(=O)N(C2=O)CC5=CC=CC=C5)C(=O)O)O

InChI

InChI=1S/C24H24N2O7/c1-13(27)24(23(30)31)19-18(21(28)26(22(19)29)12-14-5-3-2-4-6-14)20(25-24)15-7-8-16-17(11-15)33-10-9-32-16/h2-8,11,13,18-20,25,27H,9-10,12H2,1H3,(H,30,31)