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

Systemtic Name: methyl (5S,6R)-2-(4-nitrophenyl)-3-(phenylmethyl)-6-propan-2-yl-1,3-oxazinane-5-carboxylate Openeye Name: methyl (5S,6R)-3-benzyl-6-isopropyl-2-(4-nitrophenyl)-1,3-oxazinane-5-carboxylate CAS Name: (5S,6R)-2-(4-nitrophenyl)-3-(phenylmethyl)-6-propan-2-yl-1,3-oxazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (5S,6R)-3-benzyl-2-(4-nitrophenyl)-6-propan-2-yl-1,3-oxazinane-5-carboxylate Traditional Name: (5S,6R)-3-benzyl-6-isopropyl-2-(4-nitrophenyl)-1,3-oxazinane-5-carboxylic acid methyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(CN(C(O1)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)[C@@H]1[C@H](CN(C(O1)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H26N2O5/c1-15(2)20-19(22(25)28-3)14-23(13-16-7-5-4-6-8-16)21(29-20)17-9-11-18(12-10-17)24(26)27/h4-12,15,19-21H,13-14H2,1-3H3/t19-,20+,21?/m0/s1