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

Systemtic Name: [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate Openeye Name: [5-(2-methyl-2,3-dihydrobenzofuran-5-yl)isoxazol-3-yl]methyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic 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-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [5-(2-methylcoumaran-5-yl)isoxazol-3-yl]methyl ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6/c1-13-8-16-9-14(4-6-18(16)28-13)20-11-17(23-29-20)12-27-22(24)15-5-7-19(25-2)21(10-15)26-3/h4-7,9-11,13H,8,12H2,1-3H3