1,3-benzoxazol-2-ylmethyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: 1,3-benzoxazol-2-ylmethyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyric acid 1,3-benzoxazol-2-ylmethyl ester Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC3=NC4=CC=CC=C4O3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC3=NC4=CC=CC=C4O3)OC1

InChI

InChI=1S/C21H19NO6/c23-16(14-6-8-18-19(12-14)26-11-3-10-25-18)7-9-21(24)27-13-20-22-15-4-1-2-5-17(15)28-20/h1-2,4-6,8,12H,3,7,9-11,13H2