(4-methoxycarbonylphenyl) 1-(6-chloranylpyridazin-3-yl)piperidine-4-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl) 1-(6-chloranylpyridazin-3-yl)piperidine-4-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 1-(6-chloropyridazin-3-yl)piperidine-4-carboxylate CAS Name: 1-(6-chloro-3-pyridazinyl)-4-piperidinecarboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 1-(6-chloropyridazin-3-yl)piperidine-4-carboxylate Traditional Name: 1-(6-chloropyridazin-3-yl)isonipecotic acid (4-carbomethoxyphenyl) ester Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)C2CCN(CC2)C3=NN=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)C2CCN(CC2)C3=NN=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O4/c1-25-17(23)12-2-4-14(5-3-12)26-18(24)13-8-10-22(11-9-13)16-7-6-15(19)20-21-16/h2-7,13H,8-11H2,1H3