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

Systemtic Name: 3-[(6-chloranyl-3-ethoxycarbonyl-8-methyl-quinolin-4-yl)amino]-4-methyl-benzoic acid Openeye Name: 3-[(6-chloro-3-ethoxycarbonyl-8-methyl-4-quinolyl)amino]-4-methyl-benzoic acid CAS Name: 3-[(6-chloro-3-ethoxycarbonyl-8-methyl-4-quinolinyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]-4-methylbenzoic acid Traditional Name: 3-[(3-carbethoxy-6-chloro-8-methyl-4-quinolyl)amino]-4-methyl-benzoic acid Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4/c1-4-28-21(27)16-10-23-18-12(3)7-14(22)9-15(18)19(16)24-17-8-13(20(25)26)6-5-11(17)2/h5-10H,4H2,1-3H3,(H,23,24)(H,25,26)