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

Systemtic Name: 3-[4-(3-chlorophenyl)-1-ethyl-7-(methylamino)-2-oxidanylidene-1,8-naphthyridin-3-yl]propanoic acid Openeye Name: 3-[4-(3-chlorophenyl)-1-ethyl-7-(methylamino)-2-oxo-1,8-naphthyridin-3-yl]propanoic acid CAS Name: 3-[4-(3-chlorophenyl)-1-ethyl-7-(methylamino)-2-oxo-1,8-naphthyridin-3-yl]propanoic acid IUPAC Name: 3-[4-(3-chlorophenyl)-1-ethyl-7-(methylamino)-2-oxo-1,8-naphthyridin-3-yl]propanoic acid Traditional Name: 3-[4-(3-chlorophenyl)-1-ethyl-2-keto-7-(methylamino)-1,8-naphthyridin-3-yl]propionic acid Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3/c1-3-24-19-14(7-9-16(22-2)23-19)18(12-5-4-6-13(21)11-12)15(20(24)27)8-10-17(25)26/h4-7,9,11H,3,8,10H2,1-2H3,(H,22,23)(H,25,26)