[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoate

Systemtic Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoate Openeye Name: (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl 3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoate CAS Name: 3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)propanoic acid [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoate Traditional Name: 3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propionic acid (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)OCC3=NC(=NO3)CC(C)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)OCC3=NC(=NO3)CC(C)C

InChI

InChI=1S/C21H24N2O6/c1-12(2)9-18-22-19(29-23-18)11-27-20(24)8-7-16-13(3)15-6-5-14(26-4)10-17(15)28-21(16)25/h5-6,10,12H,7-9,11H2,1-4H3