3-[(3-ethoxycarbonyl-6,8-dimethyl-quinolin-4-yl)amino]-4-methyl-benzoic acid

Systemtic Name: 3-[(3-ethoxycarbonyl-6,8-dimethyl-quinolin-4-yl)amino]-4-methyl-benzoic acid Openeye Name: 3-[(3-ethoxycarbonyl-6,8-dimethyl-4-quinolyl)amino]-4-methyl-benzoic acid CAS Name: 3-[(3-ethoxycarbonyl-6,8-dimethyl-4-quinolinyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(3-ethoxycarbonyl-6,8-dimethylquinolin-4-yl)amino]-4-methylbenzoic acid Traditional Name: 3-[(3-carbethoxy-6,8-dimethyl-4-quinolyl)amino]-4-methyl-benzoic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)C)NC3=C(C=CC(=C3)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)C)NC3=C(C=CC(=C3)C(=O)O)C

InChI

InChI=1S/C22H22N2O4/c1-5-28-22(27)17-11-23-19-14(4)8-12(2)9-16(19)20(17)24-18-10-15(21(25)26)7-6-13(18)3/h6-11H,5H2,1-4H3,(H,23,24)(H,25,26)