methyl 2-[(1-phenethylpiperidin-4-yl)-propanoyl-amino]benzoate dihydrate hydrochloride

Systemtic Name: methyl 2-[(1-phenethylpiperidin-4-yl)-propanoyl-amino]benzoate dihydrate hydrochloride Openeye Name: methyl 2-[(1-phenethyl-4-piperidyl)-propanoyl-amino]benzoate dihydrate hydrochloride CAS Name: 2-[1-oxopropyl-(1-phenethyl-4-piperidinyl)amino]benzoic acid methyl ester dihydrate hydrochloride IUPAC Name: methyl 2-[(1-phenethylpiperidin-4-yl)-propanoylamino]benzoate dihydrate hydrochloride Traditional Name: 2-[(1-phenethyl-4-piperidyl)-propionyl-amino]benzoic acid methyl ester dihydrate hydrochloride Formula: C24H35ClN2O5 MolecularWeight: 466.9981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3C(=O)OC.O.O.Cl

Isomeric SMILES

CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3C(=O)OC.O.O.Cl

InChI

InChI=1S/C24H30N2O3.ClH.2H2O/c1-3-23(27)26(22-12-8-7-11-21(22)24(28)29-2)20-14-17-25(18-15-20)16-13-19-9-5-4-6-10-19;;;/h4-12,20H,3,13-18H2,1-2H3;1H;2*1H2