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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 2-(pentanoylamino)benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 2-(pentanoylamino)benzoate CAS Name: 2-(1-oxopentylamino)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-(pentanoylamino)benzoate Traditional Name: 2-(valerylamino)benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=CC=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCC(=O)NC1=CC=CC=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H23NO6/c1-2-3-8-21(25)23-17-7-5-4-6-16(17)22(26)29-14-18(24)15-9-10-19-20(13-15)28-12-11-27-19/h4-7,9-10,13H,2-3,8,11-12,14H2,1H3,(H,23,25)