3-[5-(azetidin-2-ylmethoxy)pyridin-3-yl]prop-2-ynyl 2-(methylamino)benzoate

Systemtic Name: 3-[5-(azetidin-2-ylmethoxy)pyridin-3-yl]prop-2-ynyl 2-(methylamino)benzoate Openeye Name: 3-[5-(azetidin-2-ylmethoxy)-3-pyridyl]prop-2-ynyl 2-(methylamino)benzoate CAS Name: 2-(methylamino)benzoic acid 3-[5-(2-azetidinylmethoxy)-3-pyridinyl]prop-2-ynyl ester IUPAC Name: 3-[5-(azetidin-2-ylmethoxy)pyridin-3-yl]prop-2-ynyl 2-(methylamino)benzoate Traditional Name: 2-(methylamino)benzoic acid 3-[5-(azetidin-2-ylmethoxy)-3-pyridyl]prop-2-ynyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC=C1C(=O)OCC#CC2=CC(=CN=C2)OCC3CCN3

Isomeric SMILES

CNC1=CC=CC=C1C(=O)OCC#CC2=CC(=CN=C2)OCC3CCN3

InChI

InChI=1S/C20H21N3O3/c1-21-19-7-3-2-6-18(19)20(24)25-10-4-5-15-11-17(13-22-12-15)26-14-16-8-9-23-16/h2-3,6-7,11-13,16,21,23H,8-10,14H2,1H3