(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-bromanyl-5-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-bromanyl-5-methoxy-4-phenylmethoxy-benzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 4-benzyloxy-3-bromo-5-methoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-phenylmethoxybenzoic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-bromo-5-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-bromo-5-methoxy-benzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)COC(=O)C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)C1=NOC(=N1)COC(=O)C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H21BrN2O5/c1-13(2)20-23-18(29-24-20)12-28-21(25)15-9-16(22)19(17(10-15)26-3)27-11-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3