[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 4-butoxybenzoate

Systemtic Name: [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 4-butoxybenzoate Openeye Name: [5-(2-methyl-2,3-dihydrobenzofuran-5-yl)isoxazol-3-yl]methyl 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [5-(2-methylcoumaran-5-yl)isoxazol-3-yl]methyl ester Formula: C24H25NO5 MolecularWeight: 407.459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC4=C(C=C3)OC(C4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC4=C(C=C3)OC(C4)C

InChI

InChI=1S/C24H25NO5/c1-3-4-11-27-21-8-5-17(6-9-21)24(26)28-15-20-14-23(30-25-20)18-7-10-22-19(13-18)12-16(2)29-22/h5-10,13-14,16H,3-4,11-12,15H2,1-2H3