(2S,3S)-2-(4-methylphenyl)carbonyl-3-morpholin-4-yl-2-phenyl-oxetane-3-carbonitrile

Systemtic Name: (2S,3S)-2-(4-methylphenyl)carbonyl-3-morpholin-4-yl-2-phenyl-oxetane-3-carbonitrile Openeye Name: (2S,3S)-2-(4-methylbenzoyl)-3-morpholino-2-phenyl-oxetane-3-carbonitrile CAS Name: (2S,3S)-2-[(4-methylphenyl)-oxomethyl]-3-(4-morpholinyl)-2-phenyl-3-oxetanecarbonitrile IUPAC Name: (2S,3S)-2-(4-methylbenzoyl)-3-morpholin-4-yl-2-phenyloxetane-3-carbonitrile Traditional Name: (2S,3S)-3-morpholino-2-phenyl-2-p-toluoyl-oxetane-3-carbonitrile Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2(C(CO2)(C#N)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@@]2([C@@](CO2)(C#N)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3/c1-17-7-9-18(10-8-17)20(25)22(19-5-3-2-4-6-19)21(15-23,16-27-22)24-11-13-26-14-12-24/h2-10H,11-14,16H2,1H3/t21-,22+/m0/s1