[2-(4-methoxyphenyl)pyridin-3-yl] adamantane-1-carboxylate hydrate hydrochloride

Systemtic Name: [2-(4-methoxyphenyl)pyridin-3-yl] adamantane-1-carboxylate hydrate hydrochloride Openeye Name: [2-(4-methoxyphenyl)-3-pyridyl] adamantane-1-carboxylate hydrate hydrochloride CAS Name: 1-adamantanecarboxylic acid [2-(4-methoxyphenyl)-3-pyridinyl] ester hydrate hydrochloride IUPAC Name: [2-(4-methoxyphenyl)pyridin-3-yl] adamantane-1-carboxylate hydrate hydrochloride Traditional Name: adamantane-1-carboxylic acid [2-(4-methoxyphenyl)-3-pyridyl] ester hydrate hydrochloride Formula: C23H28ClNO4 MolecularWeight: 417.92572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=CC=N2)OC(=O)C34CC5CC(C3)CC(C5)C4.O.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=CC=N2)OC(=O)C34CC5CC(C3)CC(C5)C4.O.Cl

InChI

InChI=1S/C23H25NO3.ClH.H2O/c1-26-19-6-4-18(5-7-19)21-20(3-2-8-24-21)27-22(25)23-12-15-9-16(13-23)11-17(10-15)14-23;;/h2-8,15-17H,9-14H2,1H3;1H;1H2