4-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]-5-chloranyl-2-methoxy-benzoic acid

Systemtic Name: 4-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]-5-chloranyl-2-methoxy-benzoic acid Openeye Name: 4-[[3,6-bis(ethoxycarbonyl)-4-quinolyl]amino]-5-chloro-2-methoxy-benzoic acid CAS Name: 4-[[3,6-bis(ethoxycarbonyl)-4-quinolinyl]amino]-5-chloro-2-methoxybenzoic acid IUPAC Name: 4-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]-5-chloro-2-methoxybenzoic acid Traditional Name: 5-chloro-4-[(3,6-dicarbethoxy-4-quinolyl)amino]-2-methoxy-benzoic acid Formula: C23H21ClN2O7 MolecularWeight: 472.87504

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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=C(C(=C3)OC)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN2O7/c1-4-32-22(29)12-6-7-17-13(8-12)20(15(11-25-17)23(30)33-5-2)26-18-10-19(31-3)14(21(27)28)9-16(18)24/h6-11H,4-5H2,1-3H3,(H,25,26)(H,27,28)