[1-[(E)-[azanyl(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-yl-propan-2-yl] 4-methoxybenzoate

Systemtic Name: [1-[(E)-[azanyl(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-yl-propan-2-yl] 4-methoxybenzoate Openeye Name: [1-[[(E)-[amino(3-pyridyl)methylene]amino]oxymethyl]-2-(1-piperidyl)ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [1-[(E)-[amino(3-pyridinyl)methylidene]amino]oxy-3-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [1-[(E)-[amino(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-ylpropan-2-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [1-[[(E)-[amino(3-pyridyl)methylene]amino]oxymethyl]-2-piperidino-ethyl] ester Formula: C22H28N4O4 MolecularWeight: 412.48212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC(CN2CCCCC2)CON=C(C3=CN=CC=C3)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC(CN2CCCCC2)CO/N=C(\C3=CN=CC=C3)/N

InChI

InChI=1S/C22H28N4O4/c1-28-19-9-7-17(8-10-19)22(27)30-20(15-26-12-3-2-4-13-26)16-29-25-21(23)18-6-5-11-24-14-18/h5-11,14,20H,2-4,12-13,15-16H2,1H3,(H2,23,25)