methyl 4-[4-methoxy-1-methyl-6-oxidanylidene-5-(2-phenylethynyl)pyridin-3-yl]benzoate

Systemtic Name: methyl 4-[4-methoxy-1-methyl-6-oxidanylidene-5-(2-phenylethynyl)pyridin-3-yl]benzoate Openeye Name: methyl 4-[4-methoxy-1-methyl-6-oxo-5-(2-phenylethynyl)-3-pyridyl]benzoate CAS Name: 4-[4-methoxy-1-methyl-6-oxo-5-(2-phenylethynyl)-3-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-methoxy-1-methyl-6-oxo-5-(2-phenylethynyl)pyridin-3-yl]benzoate Traditional Name: 4-[6-keto-4-methoxy-1-methyl-5-(2-phenylethynyl)-3-pyridyl]benzoic acid methyl ester Formula: C23H19NO4 MolecularWeight: 373.40126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C(C1=O)C#CC2=CC=CC=C2)OC)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C=C(C(=C(C1=O)C#CC2=CC=CC=C2)OC)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H19NO4/c1-24-15-20(17-10-12-18(13-11-17)23(26)28-3)21(27-2)19(22(24)25)14-9-16-7-5-4-6-8-16/h4-8,10-13,15H,1-3H3