[3-carbonochloridimidoyl-4-(3-piperidin-1-ylpropoxy)pyridin-2-yl] benzoate

Systemtic Name: [3-carbonochloridimidoyl-4-(3-piperidin-1-ylpropoxy)pyridin-2-yl] benzoate Openeye Name: [3-(chlorocarbonimidoyl)-4-[3-(1-piperidyl)propoxy]-2-pyridyl] benzoate CAS Name: benzoic acid [3-carbonochloridimidoyl-4-[3-(1-piperidinyl)propoxy]-2-pyridinyl] ester IUPAC Name: [3-carbonochloridimidoyl-4-(3-piperidin-1-ylpropoxy)pyridin-2-yl] benzoate Traditional Name: benzoic acid [3-(chlorocarbonimidoyl)-4-(3-piperidinopropoxy)-2-pyridyl] ester Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=C(C(=NC=C2)OC(=O)C3=CC=CC=C3)C(=N)Cl

Isomeric SMILES

C1CCN(CC1)CCCOC2=C(C(=NC=C2)OC(=O)C3=CC=CC=C3)C(=N)Cl

InChI

InChI=1S/C21H24ClN3O3/c22-19(23)18-17(27-15-7-14-25-12-5-2-6-13-25)10-11-24-20(18)28-21(26)16-8-3-1-4-9-16/h1,3-4,8-11,23H,2,5-7,12-15H2