3-[(7-chloranyl-3-ethoxycarbonyl-8-methyl-quinolin-4-yl)amino]-4-methyl-benzoic acid

Systemtic Name: 3-[(7-chloranyl-3-ethoxycarbonyl-8-methyl-quinolin-4-yl)amino]-4-methyl-benzoic acid Openeye Name: 3-[(7-chloro-3-ethoxycarbonyl-8-methyl-4-quinolyl)amino]-4-methyl-benzoic acid CAS Name: 3-[(7-chloro-3-ethoxycarbonyl-8-methyl-4-quinolinyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(7-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]-4-methylbenzoic acid Traditional Name: 3-[(3-carbethoxy-7-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=CN=C2C(=C(C=CC2=C1NC3=C(C=CC(=C3)C(=O)O)C)Cl)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C(C=CC2=C1NC3=C(C=CC(=C3)C(=O)O)C)Cl)C

InChI

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