(2R)-2-[cyclopentylmethyl-[(1S)-1-pyridin-3-yloct-2-ynyl]amino]-2-phenyl-ethanol

Systemtic Name: (2R)-2-[cyclopentylmethyl-[(1S)-1-pyridin-3-yloct-2-ynyl]amino]-2-phenyl-ethanol Openeye Name: (2R)-2-[cyclopentylmethyl-[(1S)-1-(3-pyridyl)oct-2-ynyl]amino]-2-phenyl-ethanol CAS Name: (2R)-2-[cyclopentylmethyl-[(1S)-1-(3-pyridinyl)oct-2-ynyl]amino]-2-phenylethanol IUPAC Name: (2R)-2-[cyclopentylmethyl-[(1S)-1-pyridin-3-yloct-2-ynyl]amino]-2-phenylethanol Traditional Name: (2R)-2-[cyclopentylmethyl-[(1S)-1-(3-pyridyl)oct-2-ynyl]amino]-2-phenyl-ethanol Formula: C27H31N2O MolecularWeight: 399.54784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC(C1=CN=CC=C1)N(C[C]2[CH][CH][CH][CH]2)C(CO)C3=CC=CC=C3

Isomeric SMILES

CCCCCC#C[C@@H](C1=CN=CC=C1)N(C[C]2[CH][CH][CH][CH]2)[C@@H](CO)C3=CC=CC=C3

InChI

InChI=1S/C27H31N2O/c1-2-3-4-5-9-18-26(25-17-12-19-28-20-25)29(21-23-13-10-11-14-23)27(22-30)24-15-7-6-8-16-24/h6-8,10-17,19-20,26-27,30H,2-5,21-22H2,1H3/t26-,27-/m0/s1