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

Systemtic Name: [1-[(E)-[azanyl(pyridin-3-yl)methylidene]amino]oxy-3-piperidin-1-yl-propan-2-yl] benzoate Openeye Name: [1-[[(E)-[amino(3-pyridyl)methylene]amino]oxymethyl]-2-(1-piperidyl)ethyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [1-[[(E)-[amino(3-pyridyl)methylene]amino]oxymethyl]-2-piperidino-ethyl] ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(CON=C(C2=CN=CC=C2)N)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CC(CO/N=C(\C2=CN=CC=C2)/N)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3/c22-20(18-10-7-11-23-14-18)24-27-16-19(15-25-12-5-2-6-13-25)28-21(26)17-8-3-1-4-9-17/h1,3-4,7-11,14,19H,2,5-6,12-13,15-16H2,(H2,22,24)