[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 4-(1H-imidazol-2-yl)benzoate

Systemtic Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 4-(1H-imidazol-2-yl)benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 4-(1H-imidazol-2-yl)benzoate CAS Name: 4-(1H-imidazol-2-yl)benzoic acid [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate Traditional Name: 4-(1H-imidazol-2-yl)benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=CC=C(C=C3)C4=NC=CN4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=CC=C(C=C3)C4=NC=CN4

InChI

InChI=1S/C21H19N3O5/c1-13(20(25)24-16-6-7-17-18(12-16)28-11-10-27-17)29-21(26)15-4-2-14(3-5-15)19-22-8-9-23-19/h2-9,12-13H,10-11H2,1H3,(H,22,23)(H,24,25)