(2S,3S)-3-azanyl-4-(2,4-dimethoxy-3-methyl-5-oxidanyl-phenyl)-2-morpholin-4-yl-butanenitrile

Systemtic Name: (2S,3S)-3-azanyl-4-(2,4-dimethoxy-3-methyl-5-oxidanyl-phenyl)-2-morpholin-4-yl-butanenitrile Openeye Name: (2S,3S)-3-amino-4-(5-hydroxy-2,4-dimethoxy-3-methyl-phenyl)-2-morpholino-butanenitrile CAS Name: (2S,3S)-3-amino-4-(5-hydroxy-2,4-dimethoxy-3-methylphenyl)-2-(4-morpholinyl)butanenitrile IUPAC Name: (2S,3S)-3-amino-4-(5-hydroxy-2,4-dimethoxy-3-methylphenyl)-2-morpholin-4-ylbutanenitrile Traditional Name: (2S,3S)-3-amino-4-(5-hydroxy-2,4-dimethoxy-3-methyl-phenyl)-2-morpholino-butyronitrile Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1OC)O)CC(C(C#N)N2CCOCC2)N)OC

Isomeric SMILES

CC1=C(C(=CC(=C1OC)O)C[C@@H]([C@@H](C#N)N2CCOCC2)N)OC

InChI

InChI=1S/C17H25N3O4/c1-11-16(22-2)12(9-15(21)17(11)23-3)8-13(19)14(10-18)20-4-6-24-7-5-20/h9,13-14,21H,4-8,19H2,1-3H3/t13-,14+/m0/s1