ethyl 4-[4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]butoxy]benzoate

Systemtic Name: ethyl 4-[4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]butoxy]benzoate Openeye Name: ethyl 4-[4-[1-(6-methylpyridazin-3-yl)-4-piperidyl]butoxy]benzoate CAS Name: 4-[4-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]butoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]butoxy]benzoate Traditional Name: 4-[4-[1-(6-methylpyridazin-3-yl)-4-piperidyl]butoxy]benzoic acid ethyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCCCCC2CCN(CC2)C3=NN=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCCCCC2CCN(CC2)C3=NN=C(C=C3)C

InChI

InChI=1S/C23H31N3O3/c1-3-28-23(27)20-8-10-21(11-9-20)29-17-5-4-6-19-13-15-26(16-14-19)22-12-7-18(2)24-25-22/h7-12,19H,3-6,13-17H2,1-2H3