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

Systemtic Name: 3-[(6-bromanyl-3-ethoxycarbonyl-quinolin-4-yl)amino]-4-methyl-benzoic acid Openeye Name: 3-[(6-bromo-3-ethoxycarbonyl-4-quinolyl)amino]-4-methyl-benzoic acid CAS Name: 3-[(6-bromo-3-ethoxycarbonyl-4-quinolinyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(6-bromo-3-ethoxycarbonylquinolin-4-yl)amino]-4-methylbenzoic acid Traditional Name: 3-[(6-bromo-3-carbethoxy-4-quinolyl)amino]-4-methyl-benzoic acid Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O4/c1-3-27-20(26)15-10-22-16-7-6-13(21)9-14(16)18(15)23-17-8-12(19(24)25)5-4-11(17)2/h4-10H,3H2,1-2H3,(H,22,23)(H,24,25)