[(5S)-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-bromanylbenzoate

Systemtic Name: [(5S)-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-bromanylbenzoate Openeye Name: [(5S)-3-(2-methoxyphenyl)-2,5-dihydroisoxazol-5-yl]methyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(5S)-3-(2-methoxyphenyl)-2,5-dihydroisoxazol-5-yl]methyl ester IUPAC Name: [(5S)-3-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(5S)-3-(2-methoxyphenyl)-3-isoxazolin-5-yl]methyl ester Formula: C18H16BrNO4 MolecularWeight: 390.22794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(ON2)COC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC=C1C2=C[C@H](ON2)COC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrNO4/c1-22-17-5-3-2-4-15(17)16-10-14(24-20-16)11-23-18(21)12-6-8-13(19)9-7-12/h2-10,14,20H,11H2,1H3/t14-/m0/s1