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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 4-(butanoylamino)benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 4-(butanoylamino)benzoate CAS Name: 4-(1-oxobutylamino)benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 4-(butanoylamino)benzoate Traditional Name: 4-butyramidobenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H22N2O6/c1-2-3-19(24)22-15-6-4-14(5-7-15)21(26)29-13-20(25)23-16-8-9-17-18(12-16)28-11-10-27-17/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,24)(H,23,25)