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

Systemtic Name: [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 3,4-dimethylbenzoate Openeye Name: [5-(2-methyl-2,3-dihydrobenzofuran-5-yl)isoxazol-3-yl]methyl 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic 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 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [5-(2-methylcoumaran-5-yl)isoxazol-3-yl]methyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C3=CC(=NO3)COC(=O)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)C3=CC(=NO3)COC(=O)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C22H21NO4/c1-13-4-5-17(8-14(13)2)22(24)25-12-19-11-21(27-23-19)16-6-7-20-18(10-16)9-15(3)26-20/h4-8,10-11,15H,9,12H2,1-3H3