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

Systemtic Name: [(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-bromanylbenzoate Openeye Name: [(5S)-3-(4-chlorophenyl)-2,5-dihydroisoxazol-5-yl]methyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(5S)-3-(4-chlorophenyl)-2,5-dihydroisoxazol-5-yl]methyl ester IUPAC Name: [(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(5S)-3-(4-chlorophenyl)-3-isoxazolin-5-yl]methyl ester Formula: C17H13BrClNO3 MolecularWeight: 394.64702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(ON2)COC(=O)C3=CC=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C[C@H](ON2)COC(=O)C3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C17H13BrClNO3/c18-13-5-1-12(2-6-13)17(21)22-10-15-9-16(20-23-15)11-3-7-14(19)8-4-11/h1-9,15,20H,10H2/t15-/m0/s1