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

Systemtic Name: 4-[[3-ethoxycarbonyl-6-(methylcarbamoyl)quinolin-4-yl]amino]benzoic acid Openeye Name: 4-[[3-ethoxycarbonyl-6-(methylcarbamoyl)-4-quinolyl]amino]benzoic acid CAS Name: 4-[[3-ethoxycarbonyl-6-(methylcarbamoyl)-4-quinolinyl]amino]benzoic acid IUPAC Name: 4-[[3-ethoxycarbonyl-6-(methylcarbamoyl)quinolin-4-yl]amino]benzoic acid Traditional Name: 4-[[3-carbethoxy-6-(methylcarbamoyl)-4-quinolyl]amino]benzoic acid Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5/c1-3-29-21(28)16-11-23-17-9-6-13(19(25)22-2)10-15(17)18(16)24-14-7-4-12(5-8-14)20(26)27/h4-11H,3H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)