[2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethyl] pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethyl] pyridine-3-carboxylate Openeye Name: [2-(4-benzyloxyphenyl)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(4-benzoxyphenyl)-2-keto-ethyl] ester Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)COC(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)COC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H17NO4/c23-20(15-26-21(24)18-7-4-12-22-13-18)17-8-10-19(11-9-17)25-14-16-5-2-1-3-6-16/h1-13H,14-15H2