(E,4R)-2-[methyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]-4-[(1R)-3-oxidanylidenecyclohexyl]-4-phenyl-but-2-enenitrile

Systemtic Name: (E,4R)-2-[methyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]-4-[(1R)-3-oxidanylidenecyclohexyl]-4-phenyl-but-2-enenitrile Openeye Name: (E,4R)-2-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]-4-[(1R)-3-oxocyclohexyl]-4-phenyl-but-2-enenitrile CAS Name: (E,4R)-2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-4-[(1R)-3-oxocyclohexyl]-4-phenyl-2-butenenitrile IUPAC Name: (E,4R)-2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-4-[(1R)-3-oxocyclohexyl]-4-phenylbut-2-enenitrile Traditional Name: (E,4R)-2-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]-4-[(1R)-3-ketocyclohexyl]-4-phenyl-but-2-enenitrile Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)N(C)C(=CC(C2CCCC(=O)C2)C3=CC=CC=C3)C#N

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)/C(=C/[C@@H]([C@@H]2CCCC(=O)C2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C26H30N2O2/c1-19(26(30)21-12-7-4-8-13-21)28(2)23(18-27)17-25(20-10-5-3-6-11-20)22-14-9-15-24(29)16-22/h3-8,10-13,17,19,22,25-26,30H,9,14-16H2,1-2H3/b23-17+/t19-,22+,25+,26-/m0/s1