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

Systemtic Name: [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-propylpentanoate Openeye Name: [5-(2-methyl-2,3-dihydrobenzofuran-5-yl)isoxazol-3-yl]methyl 2-propylpentanoate CAS Name: 2-propylpentanoic 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-propylpentanoate Traditional Name: 2-propylvaleric acid [5-(2-methylcoumaran-5-yl)isoxazol-3-yl]methyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)OCC1=NOC(=C1)C2=CC3=C(C=C2)OC(C3)C

Isomeric SMILES

CCCC(CCC)C(=O)OCC1=NOC(=C1)C2=CC3=C(C=C2)OC(C3)C

InChI

InChI=1S/C21H27NO4/c1-4-6-15(7-5-2)21(23)24-13-18-12-20(26-22-18)16-8-9-19-17(11-16)10-14(3)25-19/h8-9,11-12,14-15H,4-7,10,13H2,1-3H3