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

Systemtic Name: (2R,3S)-2-[tert-butyl-(phenylmethyl)amino]-3-oxidanyl-nonanenitrile Openeye Name: (2R,3S)-2-[benzyl(tert-butyl)amino]-3-hydroxy-nonanenitrile CAS Name: (2R,3S)-2-[tert-butyl-(phenylmethyl)amino]-3-hydroxynonanenitrile IUPAC Name: (2R,3S)-2-[benzyl(tert-butyl)amino]-3-hydroxynonanenitrile Traditional Name: (2R,3S)-2-[benzyl(tert-butyl)amino]-3-hydroxy-pelargononitrile Formula: C20H32N2O MolecularWeight: 316.48088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O/c1-5-6-7-11-14-19(23)18(15-21)22(20(2,3)4)16-17-12-9-8-10-13-17/h8-10,12-13,18-19,23H,5-7,11,14,16H2,1-4H3/t18-,19+/m1/s1