(3S)-5-methyl-3-[[(4R,5S)-4-methyl-2-oxidanylidene-5-phenyl-1,3-oxazolidin-3-yl]carbonyl]hexanenitrile

Systemtic Name: (3S)-5-methyl-3-[[(4R,5S)-4-methyl-2-oxidanylidene-5-phenyl-1,3-oxazolidin-3-yl]carbonyl]hexanenitrile Openeye Name: (3S)-5-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-oxazolidine-3-carbonyl]hexanenitrile CAS Name: (3S)-5-methyl-3-[[(4R,5S)-4-methyl-2-oxo-5-phenyl-3-oxazolidinyl]-oxomethyl]hexanenitrile IUPAC Name: (3S)-5-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]hexanenitrile Traditional Name: (3S)-3-[(4R,5S)-2-keto-4-methyl-5-phenyl-oxazolidine-3-carbonyl]-5-methyl-hexanenitrile Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(=O)N1C(=O)C(CC#N)CC(C)C)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]1[C@@H](OC(=O)N1C(=O)[C@H](CC#N)CC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O3/c1-12(2)11-15(9-10-19)17(21)20-13(3)16(23-18(20)22)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9,11H2,1-3H3/t13-,15-,16-/m1/s1