2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethanoic acid; (1S,2S)-2-(methylamino)-1-phenyl-propan-1-ol; trihydrochloride

Systemtic Name: 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethanoic acid; (1S,2S)-2-(methylamino)-1-phenyl-propan-1-ol; trihydrochloride Openeye Name: 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]acetic acid; (1S,2S)-2-(methylamino)-1-phenyl-propan-1-ol; trihydrochloride CAS Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]acetic acid; (1S,2S)-2-(methylamino)-1-phenyl-1-propanol; trihydrochloride IUPAC Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid; (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol; trihydrochloride Traditional Name: 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]ethoxy]acetic acid; (1S,2S)-2-(methylamino)-1-phenyl-propan-1-ol; trihydrochloride Formula: C31H43Cl4N3O4 MolecularWeight: 663.50282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)NC.C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl.Cl

Isomeric SMILES

C[C@@H]([C@H](C1=CC=CC=C1)O)NC.C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl.Cl

InChI

InChI=1S/C21H25ClN2O3.C10H15NO.3ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;1-8(11-2)10(12)9-6-4-3-5-7-9;;;/h1-9,21H,10-16H2,(H,25,26);3-8,10-12H,1-2H3;3*1H/t;8-,10+;;;/m.0.../s1