[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2-phenylbutanoate

Systemtic Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2-phenylbutanoate Openeye Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)isoxazol-3-yl]methyl 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [5-(2,3-dihydro-1,4-benzodioxin-6-yl)isoxazol-3-yl]methyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC2=NOC(=C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCC2=NOC(=C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H21NO5/c1-2-18(15-6-4-3-5-7-15)22(24)27-14-17-13-20(28-23-17)16-8-9-19-21(12-16)26-11-10-25-19/h3-9,12-13,18H,2,10-11,14H2,1H3