(1R,2S,3S)-3-ethynyl-1-phenyl-2-[(phenylmethyl)amino]hexan-1-ol

Systemtic Name: (1R,2S,3S)-3-ethynyl-1-phenyl-2-[(phenylmethyl)amino]hexan-1-ol Openeye Name: (1R,2S,3S)-2-(benzylamino)-3-ethynyl-1-phenyl-hexan-1-ol CAS Name: (1R,2S,3S)-3-ethynyl-1-phenyl-2-[(phenylmethyl)amino]-1-hexanol IUPAC Name: (1R,2S,3S)-2-(benzylamino)-3-ethynyl-1-phenylhexan-1-ol Traditional Name: (1R,2S,3S)-2-(benzylamino)-1-phenyl-3-propyl-pent-4-yn-1-ol Formula: C21H25NO MolecularWeight: 307.4293

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#C)C(C(C1=CC=CC=C1)O)NCC2=CC=CC=C2

Isomeric SMILES

CCC[C@@H](C#C)[C@@H]([C@@H](C1=CC=CC=C1)O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO/c1-3-11-18(4-2)20(21(23)19-14-9-6-10-15-19)22-16-17-12-7-5-8-13-17/h2,5-10,12-15,18,20-23H,3,11,16H2,1H3/t18-,20+,21-/m1/s1