ethyl 4-[1-(6-chloranylpyridazin-3-yl)-4-oxidanyl-piperidin-4-yl]-2-methoxy-benzoate

Systemtic Name: ethyl 4-[1-(6-chloranylpyridazin-3-yl)-4-oxidanyl-piperidin-4-yl]-2-methoxy-benzoate Openeye Name: ethyl 4-[1-(6-chloropyridazin-3-yl)-4-hydroxy-4-piperidyl]-2-methoxy-benzoate CAS Name: 4-[1-(6-chloro-3-pyridazinyl)-4-hydroxy-4-piperidinyl]-2-methoxybenzoic acid ethyl ester IUPAC Name: ethyl 4-[1-(6-chloropyridazin-3-yl)-4-hydroxypiperidin-4-yl]-2-methoxybenzoate Traditional Name: 4-[1-(6-chloropyridazin-3-yl)-4-hydroxy-4-piperidyl]-2-methoxy-benzoic acid ethyl ester Formula: C19H22ClN3O4 MolecularWeight: 391.84868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C2(CCN(CC2)C3=NN=C(C=C3)Cl)O)OC

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C2(CCN(CC2)C3=NN=C(C=C3)Cl)O)OC

InChI

InChI=1S/C19H22ClN3O4/c1-3-27-18(24)14-5-4-13(12-15(14)26-2)19(25)8-10-23(11-9-19)17-7-6-16(20)21-22-17/h4-7,12,25H,3,8-11H2,1-2H3