4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]benzoic acid

Systemtic Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]benzoic acid Openeye Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidin-3-yl]carbamoylamino]benzoic acid CAS Name: 4-[[[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoic acid Traditional Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidin-3-yl]carbamoylamino]benzoic acid Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)NC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)NC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H19N3O6/c24-18-9-14(22-20(27)21-13-3-1-12(2-4-13)19(25)26)11-23(18)15-5-6-16-17(10-15)29-8-7-28-16/h1-6,10,14H,7-9,11H2,(H,25,26)(H2,21,22,27)