[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 2-phenylbutanoate

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 2-phenylbutanoate Openeye Name: [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl 2-phenylbutanoate CAS Name: 2-phenylbutanoic 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 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl ester Formula: C21H19NO5 MolecularWeight: 365.37926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO5/c1-2-17(14-6-4-3-5-7-14)21(23)24-12-16-11-19(27-22-16)15-8-9-18-20(10-15)26-13-25-18/h3-11,17H,2,12-13H2,1H3