(5-phenyl-1,2-oxazol-3-yl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 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 (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 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 (5-phenylisoxazol-3-yl)methyl ester Formula: C23H21NO6 MolecularWeight: 407.41594

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC3=NOC(=C3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC3=NOC(=C3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C23H21NO6/c25-19(17-7-9-20-22(13-17)28-12-4-11-27-20)8-10-23(26)29-15-18-14-21(30-24-18)16-5-2-1-3-6-16/h1-3,5-7,9,13-14H,4,8,10-12,15H2