3-[5,7-dimethyl-3-(4-methylphenyl)-2-oxidanylidene-quinolin-1-yl]propanoic acid

Systemtic Name: 3-[5,7-dimethyl-3-(4-methylphenyl)-2-oxidanylidene-quinolin-1-yl]propanoic acid Openeye Name: 3-[5,7-dimethyl-2-oxo-3-(p-tolyl)-1-quinolyl]propanoic acid CAS Name: 3-[5,7-dimethyl-3-(4-methylphenyl)-2-oxo-1-quinolinyl]propanoic acid IUPAC Name: 3-[5,7-dimethyl-3-(4-methylphenyl)-2-oxoquinolin-1-yl]propanoic acid Traditional Name: 3-[2-keto-5,7-dimethyl-3-(p-tolyl)-1-quinolyl]propionic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3N(C2=O)CCC(=O)O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3N(C2=O)CCC(=O)O)C)C

InChI

InChI=1S/C21H21NO3/c1-13-4-6-16(7-5-13)18-12-17-15(3)10-14(2)11-19(17)22(21(18)25)9-8-20(23)24/h4-7,10-12H,8-9H2,1-3H3,(H,23,24)