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

Systemtic Name: 3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[3,6-bis(ethoxycarbonyl)-4-quinolyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[3,6-bis(ethoxycarbonyl)-4-quinolinyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]-4-methylbenzoic acid Traditional Name: 3-[(3,6-dicarbethoxy-4-quinolyl)amino]-4-methyl-benzoic acid Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=C(C=CC(=C3)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=C(C=CC(=C3)C(=O)O)C

InChI

InChI=1S/C23H22N2O6/c1-4-30-22(28)15-8-9-18-16(10-15)20(17(12-24-18)23(29)31-5-2)25-19-11-14(21(26)27)7-6-13(19)3/h6-12H,4-5H2,1-3H3,(H,24,25)(H,26,27)