[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate Openeye Name: [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic acid [5-(1,3-benzodioxol-5-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl ester Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)OCC2=NOC(=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)OCC2=NOC(=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19NO6/c1-24-17-6-2-14(3-7-17)4-9-21(23)25-12-16-11-19(28-22-16)15-5-8-18-20(10-15)27-13-26-18/h2-3,5-8,10-11H,4,9,12-13H2,1H3