5-chloranyl-2-methoxy-3-octan-3-yl-benzamide hydrate hydrochloride

Systemtic Name: 5-chloranyl-2-methoxy-3-octan-3-yl-benzamide hydrate hydrochloride Openeye Name: 5-chloro-3-(1-ethylhexyl)-2-methoxy-benzamide hydrate hydrochloride CAS Name: 5-chloro-2-methoxy-3-octan-3-ylbenzamide hydrate hydrochloride IUPAC Name: 5-chloro-2-methoxy-3-octan-3-ylbenzamide hydrate hydrochloride Traditional Name: 5-chloro-3-(1-ethylhexyl)-2-methoxy-benzamide hydrate hydrochloride Formula: C16H27Cl2NO3 MolecularWeight: 352.29648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(C(=CC(=C1)Cl)C(=O)N)OC.O.Cl

Isomeric SMILES

CCCCCC(CC)C1=C(C(=CC(=C1)Cl)C(=O)N)OC.O.Cl

InChI

InChI=1S/C16H24ClNO2.ClH.H2O/c1-4-6-7-8-11(5-2)13-9-12(17)10-14(16(18)19)15(13)20-3;;/h9-11H,4-8H2,1-3H3,(H2,18,19);1H;1H2