(2S)-1-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-chloro-2-isopropyl-5-methyl-phenoxy)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-2-ol CAS Name: (2S)-1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-2-ol Traditional Name: (2S)-1-(4-chloro-2-isopropyl-5-methyl-phenoxy)-3-(4-o-phenetylpiperazino)propan-2-ol Formula: C25H35ClN2O3 MolecularWeight: 447.01

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC(COC3=C(C=C(C(=C3)C)Cl)C(C)C)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C[C@@H](COC3=C(C=C(C(=C3)C)Cl)C(C)C)O

InChI

InChI=1S/C25H35ClN2O3/c1-5-30-24-9-7-6-8-23(24)28-12-10-27(11-13-28)16-20(29)17-31-25-14-19(4)22(26)15-21(25)18(2)3/h6-9,14-15,18,20,29H,5,10-13,16-17H2,1-4H3/t20-/m0/s1