methyl 3-[[8-oxidanylidene-2-(3-phenylprop-1-ynyl)-1,7-naphthyridin-7-yl]methyl]benzoate

Systemtic Name: methyl 3-[[8-oxidanylidene-2-(3-phenylprop-1-ynyl)-1,7-naphthyridin-7-yl]methyl]benzoate Openeye Name: methyl 3-[[8-oxo-2-(3-phenylprop-1-ynyl)-1,7-naphthyridin-7-yl]methyl]benzoate CAS Name: 3-[[8-oxo-2-(3-phenylprop-1-ynyl)-1,7-naphthyridin-7-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[8-oxo-2-(3-phenylprop-1-ynyl)-1,7-naphthyridin-7-yl]methyl]benzoate Traditional Name: 3-[[8-keto-2-(3-phenylprop-1-ynyl)-1,7-naphthyridin-7-yl]methyl]benzoic acid methyl ester Formula: C26H20N2O3 MolecularWeight: 408.4486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C=CC3=C(C2=O)N=C(C=C3)C#CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C=CC3=C(C2=O)N=C(C=C3)C#CCC4=CC=CC=C4

InChI

InChI=1S/C26H20N2O3/c1-31-26(30)22-11-5-10-20(17-22)18-28-16-15-21-13-14-23(27-24(21)25(28)29)12-6-9-19-7-3-2-4-8-19/h2-5,7-8,10-11,13-17H,9,18H2,1H3