(2S)-1-(2-azanyl-4-cyclohexyl-phenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(2-azanyl-4-cyclohexyl-phenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol Openeye Name: (2S)-1-(2-amino-4-cyclohexyl-phenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol CAS Name: (2S)-1-(2-amino-4-cyclohexylphenoxy)-3-[4-(2-methoxyphenyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-(2-amino-4-cyclohexylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol Traditional Name: (2S)-1-(2-amino-4-cyclohexyl-phenoxy)-3-[4-(2-methoxyphenyl)piperazino]propan-2-ol Formula: C26H37N3O3 MolecularWeight: 439.59028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC(COC3=C(C=C(C=C3)C4CCCCC4)N)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C[C@@H](COC3=C(C=C(C=C3)C4CCCCC4)N)O

InChI

InChI=1S/C26H37N3O3/c1-31-26-10-6-5-9-24(26)29-15-13-28(14-16-29)18-22(30)19-32-25-12-11-21(17-23(25)27)20-7-3-2-4-8-20/h5-6,9-12,17,20,22,30H,2-4,7-8,13-16,18-19,27H2,1H3/t22-/m0/s1