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

Systemtic Name: 2-[(2S)-3-(5-chloranylspiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-oxidanyl-propoxy]-5-methyl-benzoic acid hydrochloride Openeye Name: 2-[(2S)-3-(5-chlorospiro[3H-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxy-propoxy]-5-methyl-benzoic acid hydrochloride CAS Name: 2-[(2S)-3-(5-chloro-1'-spiro[3H-benzofuran-2,4'-piperidine]yl)-2-hydroxypropoxy]-5-methylbenzoic acid hydrochloride IUPAC Name: 2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-5-methylbenzoic acid hydrochloride Traditional Name: 2-[(2S)-3-(5-chlorospiro[coumaran-2,4'-piperidine]-1'-yl)-2-hydroxy-propoxy]-5-methyl-benzoic acid hydrochloride Formula: C23H27Cl2NO5 MolecularWeight: 468.37018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(CN2CCC3(CC2)CC4=C(O3)C=CC(=C4)Cl)O)C(=O)O.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC[C@H](CN2CCC3(CC2)CC4=C(O3)C=CC(=C4)Cl)O)C(=O)O.Cl

InChI

InChI=1S/C23H26ClNO5.ClH/c1-15-2-4-21(19(10-15)22(27)28)29-14-18(26)13-25-8-6-23(7-9-25)12-16-11-17(24)3-5-20(16)30-23;/h2-5,10-11,18,26H,6-9,12-14H2,1H3,(H,27,28);1H/t18-;/m0./s1