methyl 2-[(4-bromophenyl)methyl]-5-(3-cyanophenyl)-1,2-oxazolidine-4-carboxylate

Systemtic Name: methyl 2-[(4-bromophenyl)methyl]-5-(3-cyanophenyl)-1,2-oxazolidine-4-carboxylate Openeye Name: methyl 2-[(4-bromophenyl)methyl]-5-(3-cyanophenyl)isoxazolidine-4-carboxylate CAS Name: 2-[(4-bromophenyl)methyl]-5-(3-cyanophenyl)-4-isoxazolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromophenyl)methyl]-5-(3-cyanophenyl)-1,2-oxazolidine-4-carboxylate Traditional Name: 2-(4-bromobenzyl)-5-(3-cyanophenyl)isoxazolidine-4-carboxylic acid methyl ester Formula: C19H17BrN2O3 MolecularWeight: 401.25388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(OC1C2=CC=CC(=C2)C#N)CC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1CN(OC1C2=CC=CC(=C2)C#N)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H17BrN2O3/c1-24-19(23)17-12-22(11-13-5-7-16(20)8-6-13)25-18(17)15-4-2-3-14(9-15)10-21/h2-9,17-18H,11-12H2,1H3