4-[8-methoxy-4-[(2-methylphenyl)amino]quinolin-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[8-methoxy-4-[(2-methylphenyl)amino]quinolin-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[8-methoxy-4-(2-methylanilino)-3-quinolyl]-4-oxo-butanoic acid CAS Name: 4-[8-methoxy-4-(2-methylanilino)-3-quinolinyl]-4-oxobutanoic acid IUPAC Name: 4-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[8-methoxy-4-(o-toluidino)-3-quinolyl]butyric acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2C(=O)CCC(=O)O)OC

Isomeric SMILES

CC1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2C(=O)CCC(=O)O)OC

InChI

InChI=1S/C21H20N2O4/c1-13-6-3-4-8-16(13)23-20-14-7-5-9-18(27-2)21(14)22-12-15(20)17(24)10-11-19(25)26/h3-9,12H,10-11H2,1-2H3,(H,22,23)(H,25,26)