3-[1-ethyl-7-methyl-4-(3-methylphenyl)-2-oxidanylidene-1,8-naphthyridin-3-yl]propanoic acid

Systemtic Name: 3-[1-ethyl-7-methyl-4-(3-methylphenyl)-2-oxidanylidene-1,8-naphthyridin-3-yl]propanoic acid Openeye Name: 3-[1-ethyl-7-methyl-4-(m-tolyl)-2-oxo-1,8-naphthyridin-3-yl]propanoic acid CAS Name: 3-[1-ethyl-7-methyl-4-(3-methylphenyl)-2-oxo-1,8-naphthyridin-3-yl]propanoic acid IUPAC Name: 3-[1-ethyl-7-methyl-4-(3-methylphenyl)-2-oxo-1,8-naphthyridin-3-yl]propanoic acid Traditional Name: 3-[1-ethyl-2-keto-7-methyl-4-(m-tolyl)-1,8-naphthyridin-3-yl]propionic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=N2)C)C(=C(C1=O)CCC(=O)O)C3=CC(=CC=C3)C

Isomeric SMILES

CCN1C2=C(C=CC(=N2)C)C(=C(C1=O)CCC(=O)O)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H22N2O3/c1-4-23-20-16(9-8-14(3)22-20)19(15-7-5-6-13(2)12-15)17(21(23)26)10-11-18(24)25/h5-9,12H,4,10-11H2,1-3H3,(H,24,25)