methyl 5-[2-[4-(2-methylphenyl)piperazin-1-yl]-1-oxidanyl-ethyl]-2-oxidanyl-benzoate hydrochloride

Systemtic Name: methyl 5-[2-[4-(2-methylphenyl)piperazin-1-yl]-1-oxidanyl-ethyl]-2-oxidanyl-benzoate hydrochloride Openeye Name: methyl 2-hydroxy-5-[1-hydroxy-2-[4-(o-tolyl)piperazin-1-yl]ethyl]benzoate hydrochloride CAS Name: 2-hydroxy-5-[1-hydroxy-2-[4-(2-methylphenyl)-1-piperazinyl]ethyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-hydroxy-5-[1-hydroxy-2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzoate hydrochloride Traditional Name: 2-hydroxy-5-[1-hydroxy-2-[4-(o-tolyl)piperazino]ethyl]benzoic acid methyl ester hydrochloride Formula: C21H27ClN2O4 MolecularWeight: 406.90308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CC(C3=CC(=C(C=C3)O)C(=O)OC)O.Cl

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CC(C3=CC(=C(C=C3)O)C(=O)OC)O.Cl

InChI

InChI=1S/C21H26N2O4.ClH/c1-15-5-3-4-6-18(15)23-11-9-22(10-12-23)14-20(25)16-7-8-19(24)17(13-16)21(26)27-2;/h3-8,13,20,24-25H,9-12,14H2,1-2H3;1H