(5-phenyl-1,2-oxazol-3-yl)methyl 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 4-(3,4-dimethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethoxyphenyl)-4-keto-butyric acid (5-phenylisoxazol-3-yl)methyl ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCC(=O)OCC2=NOC(=C2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCC(=O)OCC2=NOC(=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H21NO6/c1-26-19-10-8-16(12-21(19)27-2)18(24)9-11-22(25)28-14-17-13-20(29-23-17)15-6-4-3-5-7-15/h3-8,10,12-13H,9,11,14H2,1-2H3