(2S,3R)-2-[bis(phenylmethyl)amino]octadec-4-yne-1,3-diol

Systemtic Name: (2S,3R)-2-[bis(phenylmethyl)amino]octadec-4-yne-1,3-diol Openeye Name: (2S,3R)-2-(dibenzylamino)octadec-4-yne-1,3-diol CAS Name: (2S,3R)-2-[bis(phenylmethyl)amino]-4-octadecyne-1,3-diol IUPAC Name: (2S,3R)-2-(dibenzylamino)octadec-4-yne-1,3-diol Traditional Name: (2S,3R)-2-(dibenzylamino)octadec-4-yne-1,3-diol Formula: C32H47NO2 MolecularWeight: 477.72108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC#CC(C(CO)N(CC1=CC=CC=C1)CC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCCC#C[C@H]([C@H](CO)N(CC1=CC=CC=C1)CC2=CC=CC=C2)O

InChI

InChI=1S/C32H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-25-32(35)31(28-34)33(26-29-21-16-14-17-22-29)27-30-23-18-15-19-24-30/h14-19,21-24,31-32,34-35H,2-13,26-28H2,1H3/t31-,32+/m0/s1