2-[(3S,6R)-6-(methoxymethyl)-6-methyl-2-oxidanylidene-5-phenyl-3-(phenylmethyl)-1,4-oxazin-3-yl]ethanenitrile

Systemtic Name: 2-[(3S,6R)-6-(methoxymethyl)-6-methyl-2-oxidanylidene-5-phenyl-3-(phenylmethyl)-1,4-oxazin-3-yl]ethanenitrile Openeye Name: 2-[(3S,6R)-3-benzyl-6-(methoxymethyl)-6-methyl-2-oxo-5-phenyl-1,4-oxazin-3-yl]acetonitrile CAS Name: 2-[(3S,6R)-6-(methoxymethyl)-6-methyl-2-oxo-5-phenyl-3-(phenylmethyl)-1,4-oxazin-3-yl]acetonitrile IUPAC Name: 2-[(3S,6R)-3-benzyl-6-(methoxymethyl)-6-methyl-2-oxo-5-phenyl-1,4-oxazin-3-yl]acetonitrile Traditional Name: 2-[(3S,6R)-3-benzyl-2-keto-6-(methoxymethyl)-6-methyl-5-phenyl-1,4-oxazin-3-yl]acetonitrile Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NC(C(=O)O1)(CC#N)CC2=CC=CC=C2)C3=CC=CC=C3)COC

Isomeric SMILES

C[C@@]1(C(=N[C@](C(=O)O1)(CC#N)CC2=CC=CC=C2)C3=CC=CC=C3)COC

InChI

InChI=1S/C22H22N2O3/c1-21(16-26-2)19(18-11-7-4-8-12-18)24-22(13-14-23,20(25)27-21)15-17-9-5-3-6-10-17/h3-12H,13,15-16H2,1-2H3/t21-,22+/m0/s1