ethyl 3-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-4-imidazol-1-yl-benzoate

Systemtic Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-4-imidazol-1-yl-benzoate Openeye Name: ethyl 3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-4-imidazol-1-yl-benzoate CAS Name: 3-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-4-(1-imidazolyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-4-imidazol-1-ylbenzoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-4-imidazol-1-yl-benzoic acid ethyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2C=CN=C2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2C=CN=C2)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H19N3O5/c1-2-27-21(26)14-7-8-16(24-10-9-22-13-24)15(11-14)23-20(25)19-12-28-17-5-3-4-6-18(17)29-19/h3-11,13,19H,2,12H2,1H3,(H,23,25)