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

Systemtic Name: (2S,3R)-3-(4-bromophenyl)-4-methyl-1-(4-oxidanylbutylamino)-2-phenyl-pentan-3-ol Openeye Name: (2S,3R)-3-(4-bromophenyl)-1-(4-hydroxybutylamino)-4-methyl-2-phenyl-pentan-3-ol CAS Name: (2S,3R)-3-(4-bromophenyl)-1-(4-hydroxybutylamino)-4-methyl-2-phenyl-3-pentanol IUPAC Name: (2S,3R)-3-(4-bromophenyl)-1-(4-hydroxybutylamino)-4-methyl-2-phenylpentan-3-ol Traditional Name: (2S,3R)-3-(4-bromophenyl)-1-(4-hydroxybutylamino)-4-methyl-2-phenyl-pentan-3-ol Formula: C22H30BrNO2 MolecularWeight: 420.3831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30BrNO2/c1-17(2)22(26,19-10-12-20(23)13-11-19)21(16-24-14-6-7-15-25)18-8-4-3-5-9-18/h3-5,8-13,17,21,24-26H,6-7,14-16H2,1-2H3/t21-,22+/m1/s1