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

Systemtic Name: 3-[[7,8-bis(chloranyl)-3-ethoxycarbonyl-quinolin-4-yl]amino]-4-methyl-benzoic acid Openeye Name: 3-[(7,8-dichloro-3-ethoxycarbonyl-4-quinolyl)amino]-4-methyl-benzoic acid CAS Name: 3-[(7,8-dichloro-3-ethoxycarbonyl-4-quinolinyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(7,8-dichloro-3-ethoxycarbonylquinolin-4-yl)amino]-4-methylbenzoic acid Traditional Name: 3-[(3-carbethoxy-7,8-dichloro-4-quinolyl)amino]-4-methyl-benzoic acid Formula: C20H16Cl2N2O4 MolecularWeight: 419.25804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NC3=C(C=CC(=C3)C(=O)O)C)C=CC(=C2Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NC3=C(C=CC(=C3)C(=O)O)C)C=CC(=C2Cl)Cl

InChI

InChI=1S/C20H16Cl2N2O4/c1-3-28-20(27)13-9-23-18-12(6-7-14(21)16(18)22)17(13)24-15-8-11(19(25)26)5-4-10(15)2/h4-9H,3H2,1-2H3,(H,23,24)(H,25,26)