[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate

Systemtic Name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Openeye Name: [5-(2-furyl)isoxazol-3-yl]methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate CAS Name: 4,5-dimethoxy-2-[(2-methyl-1-oxopropyl)amino]benzoic acid [5-(2-furanyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Traditional Name: 2-(isobutyrylamino)-4,5-dimethoxy-benzoic acid [5-(2-furyl)isoxazol-3-yl]methyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC2=NOC(=C2)C3=CC=CO3)OC)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC2=NOC(=C2)C3=CC=CO3)OC)OC

InChI

InChI=1S/C21H22N2O7/c1-12(2)20(24)22-15-10-18(27-4)17(26-3)9-14(15)21(25)29-11-13-8-19(30-23-13)16-6-5-7-28-16/h5-10,12H,11H2,1-4H3,(H,22,24)