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

Systemtic Name: 3-[(3-ethoxycarbonyl-6-methyl-quinolin-4-yl)amino]-4-methyl-benzoic acid Openeye Name: 3-[(3-ethoxycarbonyl-6-methyl-4-quinolyl)amino]-4-methyl-benzoic acid CAS Name: 3-[(3-ethoxycarbonyl-6-methyl-4-quinolinyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(3-ethoxycarbonyl-6-methylquinolin-4-yl)amino]-4-methylbenzoic acid Traditional Name: 3-[(3-carbethoxy-6-methyl-4-quinolyl)amino]-4-methyl-benzoic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-4-27-21(26)16-11-22-17-8-5-12(2)9-15(17)19(16)23-18-10-14(20(24)25)7-6-13(18)3/h5-11H,4H2,1-3H3,(H,22,23)(H,24,25)