1-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-1-[(4-fluorophenyl)methyl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea hydrochloride

Systemtic Name: 1-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-1-[(4-fluorophenyl)methyl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea hydrochloride Openeye Name: 1-[1-[2-(1,3-dioxolan-2-yl)ethyl]-4-piperidyl]-1-[(4-fluorophenyl)methyl]-3-[(4-isobutoxyphenyl)methyl]urea hydrochloride CAS Name: 1-[1-[2-(1,3-dioxolan-2-yl)ethyl]-4-piperidinyl]-1-[(4-fluorophenyl)methyl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea hydrochloride IUPAC Name: 1-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-1-[(4-fluorophenyl)methyl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea hydrochloride Traditional Name: 1-[1-[2-(1,3-dioxolan-2-yl)ethyl]-4-piperidyl]-1-(4-fluorobenzyl)-3-(4-isobutoxybenzyl)urea hydrochloride Formula: C29H41ClFN3O4 MolecularWeight: 550.104943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)CCC4OCCO4.Cl

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)CCC4OCCO4.Cl

InChI

InChI=1S/C29H40FN3O4.ClH/c1-22(2)21-37-27-9-5-23(6-10-27)19-31-29(34)33(20-24-3-7-25(30)8-4-24)26-11-14-32(15-12-26)16-13-28-35-17-18-36-28;/h3-10,22,26,28H,11-21H2,1-2H3,(H,31,34);1H