[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 2-(4-chloranylbutanoylamino)benzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 2-(4-chloranylbutanoylamino)benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 2-(4-chlorobutanoylamino)benzoate CAS Name: 2-[(4-chloro-1-oxobutyl)amino]benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(4-chlorobutanoylamino)benzoate Traditional Name: 2-(4-chlorobutanoylamino)benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C21H20ClNO6 MolecularWeight: 417.8396

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=CC=C3NC(=O)CCCCl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=CC=C3NC(=O)CCCCl

InChI

InChI=1S/C21H20ClNO6/c22-9-3-6-20(25)23-16-5-2-1-4-15(16)21(26)29-13-17(24)14-7-8-18-19(12-14)28-11-10-27-18/h1-2,4-5,7-8,12H,3,6,9-11,13H2,(H,23,25)