(6-chloranylpyridin-3-yl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)benzoate Openeye Name: (6-chloro-3-pyridyl)methyl 3-methoxy-4-(2-morpholino-2-oxo-ethoxy)benzoate CAS Name: 3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]benzoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate Traditional Name: 4-(2-keto-2-morpholino-ethoxy)-3-methoxy-benzoic acid (6-chloro-3-pyridyl)methyl ester Formula: C20H21ClN2O6 MolecularWeight: 420.84354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC2=CN=C(C=C2)Cl)OCC(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC2=CN=C(C=C2)Cl)OCC(=O)N3CCOCC3

InChI

InChI=1S/C20H21ClN2O6/c1-26-17-10-15(20(25)29-12-14-2-5-18(21)22-11-14)3-4-16(17)28-13-19(24)23-6-8-27-9-7-23/h2-5,10-11H,6-9,12-13H2,1H3