dodecanoic acid; 1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea

Systemtic Name: dodecanoic acid; 1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea Openeye Name: dodecanoic acid; 1-[(4-fluorophenyl)methyl]-3-[(4-isobutoxyphenyl)methyl]-1-(1-methyl-4-piperidyl)urea CAS Name: dodecanoic acid; 1-[(4-fluorophenyl)methyl]-1-(1-methyl-4-piperidinyl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea IUPAC Name: dodecanoic acid; 1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea Traditional Name: 1-(4-fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methyl-4-piperidyl)urea; lauric acid Formula: C37H58FN3O4 MolecularWeight: 627.872523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34FN3O2.C12H24O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h4-11,19,23H,12-18H2,1-3H3,(H,27,30);2-11H2,1H3,(H,13,14)