(2S,3R)-3-(4-bromophenyl)-1-(4-oxidanylbutylamino)-2-phenyl-pentan-3-ol

Systemtic Name: (2S,3R)-3-(4-bromophenyl)-1-(4-oxidanylbutylamino)-2-phenyl-pentan-3-ol Openeye Name: (2S,3R)-3-(4-bromophenyl)-1-(4-hydroxybutylamino)-2-phenyl-pentan-3-ol CAS Name: (2S,3R)-3-(4-bromophenyl)-1-(4-hydroxybutylamino)-2-phenyl-3-pentanol IUPAC Name: (2S,3R)-3-(4-bromophenyl)-1-(4-hydroxybutylamino)-2-phenylpentan-3-ol Traditional Name: (2S,3R)-3-(4-bromophenyl)-1-(4-hydroxybutylamino)-2-phenyl-pentan-3-ol Formula: C21H28BrNO2 MolecularWeight: 406.35652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)(C(CNCCCCO)C2=CC=CC=C2)O

Isomeric SMILES

CC[C@](C1=CC=C(C=C1)Br)([C@H](CNCCCCO)C2=CC=CC=C2)O

InChI

InChI=1S/C21H28BrNO2/c1-2-21(25,18-10-12-19(22)13-11-18)20(16-23-14-6-7-15-24)17-8-4-3-5-9-17/h3-5,8-13,20,23-25H,2,6-7,14-16H2,1H3/t20-,21+/m1/s1