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

Systemtic Name: 2-methoxy-3-octan-3-yl-benzamide hydrate hydrochloride Openeye Name: 3-(1-ethylhexyl)-2-methoxy-benzamide hydrate hydrochloride CAS Name: 2-methoxy-3-octan-3-ylbenzamide hydrate hydrochloride IUPAC Name: 2-methoxy-3-octan-3-ylbenzamide hydrate hydrochloride Traditional Name: 3-(1-ethylhexyl)-2-methoxy-benzamide hydrate hydrochloride Formula: C16H28ClNO3 MolecularWeight: 317.85142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=CC=CC(=C1OC)C(=O)N.O.Cl

Isomeric SMILES

CCCCCC(CC)C1=CC=CC(=C1OC)C(=O)N.O.Cl

InChI

InChI=1S/C16H25NO2.ClH.H2O/c1-4-6-7-9-12(5-2)13-10-8-11-14(16(17)18)15(13)19-3;;/h8,10-12H,4-7,9H2,1-3H3,(H2,17,18);1H;1H2