2-[(2S)-3-(5-chloranylspiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-oxidanyl-propoxy]-5-fluoranyl-benzoic acid hydrochloride

Systemtic Name: 2-[(2S)-3-(5-chloranylspiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-oxidanyl-propoxy]-5-fluoranyl-benzoic acid hydrochloride Openeye Name: 2-[(2S)-3-(5-chlorospiro[3H-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxy-propoxy]-5-fluoro-benzoic acid hydrochloride CAS Name: 2-[(2S)-3-(5-chloro-1'-spiro[3H-benzofuran-2,4'-piperidine]yl)-2-hydroxypropoxy]-5-fluorobenzoic acid hydrochloride IUPAC Name: 2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-5-fluorobenzoic acid hydrochloride Traditional Name: 2-[(2S)-3-(5-chlorospiro[coumaran-2,4'-piperidine]-1'-yl)-2-hydroxy-propoxy]-5-fluoro-benzoic acid hydrochloride Formula: C22H24Cl2FNO5 MolecularWeight: 472.334063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CC3=C(O2)C=CC(=C3)Cl)CC(COC4=C(C=C(C=C4)F)C(=O)O)O.Cl

Isomeric SMILES

C1CN(CCC12CC3=C(O2)C=CC(=C3)Cl)C[C@@H](COC4=C(C=C(C=C4)F)C(=O)O)O.Cl

InChI

InChI=1S/C22H23ClFNO5.ClH/c23-15-1-3-19-14(9-15)11-22(30-19)5-7-25(8-6-22)12-17(26)13-29-20-4-2-16(24)10-18(20)21(27)28;/h1-4,9-10,17,26H,5-8,11-13H2,(H,27,28);1H/t17-;/m0./s1