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

Systemtic Name: [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-phenylbutanoate Openeye Name: [5-(2-methyl-2,3-dihydrobenzofuran-5-yl)isoxazol-3-yl]methyl 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [5-(2-methyl-2,3-dihydrobenzofuran-5-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [5-(2-methylcoumaran-5-yl)isoxazol-3-yl]methyl ester Formula: C23H23NO4 MolecularWeight: 377.43302

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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)OC(C4)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCC2=NOC(=C2)C3=CC4=C(C=C3)OC(C4)C

InChI

InChI=1S/C23H23NO4/c1-3-20(16-7-5-4-6-8-16)23(25)26-14-19-13-22(28-24-19)17-9-10-21-18(12-17)11-15(2)27-21/h4-10,12-13,15,20H,3,11,14H2,1-2H3