(2R,3S)-2-[tert-butyl-(phenylmethyl)amino]-3-oxidanyl-heptanenitrile

Systemtic Name: (2R,3S)-2-[tert-butyl-(phenylmethyl)amino]-3-oxidanyl-heptanenitrile Openeye Name: (2R,3S)-2-[benzyl(tert-butyl)amino]-3-hydroxy-heptanenitrile CAS Name: (2R,3S)-2-[tert-butyl-(phenylmethyl)amino]-3-hydroxyheptanenitrile IUPAC Name: (2R,3S)-2-[benzyl(tert-butyl)amino]-3-hydroxyheptanenitrile Traditional Name: (2R,3S)-2-[benzyl(tert-butyl)amino]-3-hydroxy-enanthonitrile Formula: C18H28N2O MolecularWeight: 288.42772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C#N)N(CC1=CC=CC=C1)C(C)(C)C)O

Isomeric SMILES

CCCC[C@@H]([C@@H](C#N)N(CC1=CC=CC=C1)C(C)(C)C)O

InChI

InChI=1S/C18H28N2O/c1-5-6-12-17(21)16(13-19)20(18(2,3)4)14-15-10-8-7-9-11-15/h7-11,16-17,21H,5-6,12,14H2,1-4H3/t16-,17+/m1/s1