(2S)-1-(4-azanyl-2,5-dimethyl-phenoxy)-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(4-azanyl-2,5-dimethyl-phenoxy)-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-amino-2,5-dimethyl-phenoxy)-3-[4-(4-phenoxyphenyl)-1-piperidyl]propan-2-ol CAS Name: (2S)-1-(4-amino-2,5-dimethylphenoxy)-3-[4-(4-phenoxyphenyl)-1-piperidinyl]-2-propanol IUPAC Name: (2S)-1-(4-amino-2,5-dimethylphenoxy)-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol Traditional Name: (2S)-1-(4-amino-2,5-dimethyl-phenoxy)-3-[4-(4-phenoxyphenyl)piperidino]propan-2-ol Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(CN2CCC(CC2)C3=CC=C(C=C3)OC4=CC=CC=C4)O)C)N

Isomeric SMILES

CC1=CC(=C(C=C1OC[C@H](CN2CCC(CC2)C3=CC=C(C=C3)OC4=CC=CC=C4)O)C)N

InChI

InChI=1S/C28H34N2O3/c1-20-17-28(21(2)16-27(20)29)32-19-24(31)18-30-14-12-23(13-15-30)22-8-10-26(11-9-22)33-25-6-4-3-5-7-25/h3-11,16-17,23-24,31H,12-15,18-19,29H2,1-2H3/t24-/m0/s1