dimethyl (3R,6R)-6-(4-bromophenyl)-2-methyl-3-phenyl-1,2-oxazinane-4,4-dicarboxylate

Systemtic Name: dimethyl (3R,6R)-6-(4-bromophenyl)-2-methyl-3-phenyl-1,2-oxazinane-4,4-dicarboxylate Openeye Name: dimethyl (3R,6R)-6-(4-bromophenyl)-2-methyl-3-phenyl-oxazinane-4,4-dicarboxylate CAS Name: (3R,6R)-6-(4-bromophenyl)-2-methyl-3-phenyloxazinane-4,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3R,6R)-6-(4-bromophenyl)-2-methyl-3-phenyloxazinane-4,4-dicarboxylate Traditional Name: (3R,6R)-6-(4-bromophenyl)-2-methyl-3-phenyl-oxazinane-4,4-dicarboxylic acid dimethyl ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(CC(O1)C2=CC=C(C=C2)Br)(C(=O)OC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1[C@@H](C(C[C@@H](O1)C2=CC=C(C=C2)Br)(C(=O)OC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H22BrNO5/c1-23-18(15-7-5-4-6-8-15)21(19(24)26-2,20(25)27-3)13-17(28-23)14-9-11-16(22)12-10-14/h4-12,17-18H,13H2,1-3H3/t17-,18-/m1/s1