2-[(4S,5S)-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]ethanenitrile

Systemtic Name: 2-[(4S,5S)-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]ethanenitrile Openeye Name: 2-[(4S,5S)-2-methyl-5-phenyl-4,5-dihydrooxazol-4-yl]acetonitrile CAS Name: 2-[(4S,5S)-2-methyl-5-phenyl-4,5-dihydrooxazol-4-yl]acetonitrile IUPAC Name: 2-[(4S,5S)-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]acetonitrile Traditional Name: 2-[(4S,5S)-2-methyl-5-phenyl-2-oxazolin-4-yl]acetonitrile Formula: C12H12N2O MolecularWeight: 200.23648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(C(O1)C2=CC=CC=C2)CC#N

Isomeric SMILES

CC1=N[C@H]([C@@H](O1)C2=CC=CC=C2)CC#N

InChI

InChI=1S/C12H12N2O/c1-9-14-11(7-8-13)12(15-9)10-5-3-2-4-6-10/h2-6,11-12H,7H2,1H3/t11-,12-/m0/s1