2-(5-chloranylpyridin-3-yl)oxy-3-ethyl-5,6-dimethoxy-4-piperidin-4-yl-benzamide hydrate

Systemtic Name: 2-(5-chloranylpyridin-3-yl)oxy-3-ethyl-5,6-dimethoxy-4-piperidin-4-yl-benzamide hydrate Openeye Name: 2-[(5-chloro-3-pyridyl)oxy]-3-ethyl-5,6-dimethoxy-4-(4-piperidyl)benzamide hydrate CAS Name: 2-[(5-chloro-3-pyridinyl)oxy]-3-ethyl-5,6-dimethoxy-4-(4-piperidinyl)benzamide hydrate IUPAC Name: 2-(5-chloropyridin-3-yl)oxy-3-ethyl-5,6-dimethoxy-4-piperidin-4-ylbenzamide hydrate Traditional Name: 2-[(5-chloro-3-pyridyl)oxy]-3-ethyl-5,6-dimethoxy-4-(4-piperidyl)benzamide hydrate Formula: C21H28ClN3O5 MolecularWeight: 437.91712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1OC2=CC(=CN=C2)Cl)C(=O)N)OC)OC)C3CCNCC3.O

Isomeric SMILES

CCC1=C(C(=C(C(=C1OC2=CC(=CN=C2)Cl)C(=O)N)OC)OC)C3CCNCC3.O

InChI

InChI=1S/C21H26ClN3O4.H2O/c1-4-15-16(12-5-7-24-8-6-12)19(27-2)20(28-3)17(21(23)26)18(15)29-14-9-13(22)10-25-11-14;/h9-12,24H,4-8H2,1-3H3,(H2,23,26);1H2