4-[2-[1-(6-chloranylpyridazin-3-yl)piperidin-4-yl]ethoxy]benzoic acid

Systemtic Name: 4-[2-[1-(6-chloranylpyridazin-3-yl)piperidin-4-yl]ethoxy]benzoic acid Openeye Name: 4-[2-[1-(6-chloropyridazin-3-yl)-4-piperidyl]ethoxy]benzoic acid CAS Name: 4-[2-[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]ethoxy]benzoic acid IUPAC Name: 4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]benzoic acid Traditional Name: 4-[2-[1-(6-chloropyridazin-3-yl)-4-piperidyl]ethoxy]benzoic acid Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCOC2=CC=C(C=C2)C(=O)O)C3=NN=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1CCOC2=CC=C(C=C2)C(=O)O)C3=NN=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN3O3/c19-16-5-6-17(21-20-16)22-10-7-13(8-11-22)9-12-25-15-3-1-14(2-4-15)18(23)24/h1-6,13H,7-12H2,(H,23,24)