methyl (5S,6R)-2-(4-nitrophenyl)-6-phenyl-3-(phenylmethyl)-1,3-oxazinane-5-carboxylate

Systemtic Name: methyl (5S,6R)-2-(4-nitrophenyl)-6-phenyl-3-(phenylmethyl)-1,3-oxazinane-5-carboxylate Openeye Name: methyl (5S,6R)-3-benzyl-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinane-5-carboxylate CAS Name: (5S,6R)-2-(4-nitrophenyl)-6-phenyl-3-(phenylmethyl)-1,3-oxazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (5S,6R)-3-benzyl-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinane-5-carboxylate Traditional Name: (5S,6R)-3-benzyl-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinane-5-carboxylic acid methyl ester Formula: C25H24N2O5 MolecularWeight: 432.46846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C(OC1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H]1CN(C(O[C@H]1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O5/c1-31-25(28)22-17-26(16-18-8-4-2-5-9-18)24(20-12-14-21(15-13-20)27(29)30)32-23(22)19-10-6-3-7-11-19/h2-15,22-24H,16-17H2,1H3/t22-,23-,24?/m0/s1