[4-[[2-(imidazol-1-ylmethyl)pyridin-3-yl]oxymethyl]phenyl] 2-oxidanylidenebutanoate

Systemtic Name: [4-[[2-(imidazol-1-ylmethyl)pyridin-3-yl]oxymethyl]phenyl] 2-oxidanylidenebutanoate Openeye Name: [4-[[2-(imidazol-1-ylmethyl)-3-pyridyl]oxymethyl]phenyl] 2-oxobutanoate CAS Name: 2-oxobutanoic acid [4-[[2-(1-imidazolylmethyl)-3-pyridinyl]oxymethyl]phenyl] ester IUPAC Name: [4-[[2-(imidazol-1-ylmethyl)pyridin-3-yl]oxymethyl]phenyl] 2-oxobutanoate Traditional Name: 2-ketobutyric acid [4-[[2-(imidazol-1-ylmethyl)-3-pyridyl]oxymethyl]phenyl] ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=O)OC1=CC=C(C=C1)COC2=C(N=CC=C2)CN3C=CN=C3

Isomeric SMILES

CCC(=O)C(=O)OC1=CC=C(C=C1)COC2=C(N=CC=C2)CN3C=CN=C3

InChI

InChI=1S/C20H19N3O4/c1-2-18(24)20(25)27-16-7-5-15(6-8-16)13-26-19-4-3-9-22-17(19)12-23-11-10-21-14-23/h3-11,14H,2,12-13H2,1H3