(2S)-1-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(3-chloro-4-methyl-phenyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-3-(4-phenylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(3-chloro-4-methyl-phenyl)piperazino]-3-(4-phenylphenoxy)propan-2-ol Formula: C26H29ClN2O2 MolecularWeight: 436.97366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)C4=CC=CC=C4)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)C[C@@H](COC3=CC=C(C=C3)C4=CC=CC=C4)O)Cl

InChI

InChI=1S/C26H29ClN2O2/c1-20-7-10-23(17-26(20)27)29-15-13-28(14-16-29)18-24(30)19-31-25-11-8-22(9-12-25)21-5-3-2-4-6-21/h2-12,17,24,30H,13-16,18-19H2,1H3/t24-/m0/s1