2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl 3-oxidanylidenebutanoate

Systemtic Name: 2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl 3-oxidanylidenebutanoate Openeye Name: 2-[4-(3-pyridylmethyl)phenoxy]ethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 2-[4-(3-pyridinylmethyl)phenoxy]ethyl ester IUPAC Name: 2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 2-[4-(3-pyridylmethyl)phenoxy]ethyl ester Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCOC1=CC=C(C=C1)CC2=CN=CC=C2

Isomeric SMILES

CC(=O)CC(=O)OCCOC1=CC=C(C=C1)CC2=CN=CC=C2

InChI

InChI=1S/C18H19NO4/c1-14(20)11-18(21)23-10-9-22-17-6-4-15(5-7-17)12-16-3-2-8-19-13-16/h2-8,13H,9-12H2,1H3