3-chloranyl-4-methoxy-5-[(3,4,5-triethoxyphenyl)carbonylamino]benzoic acid

Systemtic Name: 3-chloranyl-4-methoxy-5-[(3,4,5-triethoxyphenyl)carbonylamino]benzoic acid Openeye Name: 3-chloro-4-methoxy-5-[(3,4,5-triethoxybenzoyl)amino]benzoic acid CAS Name: 3-chloro-4-methoxy-5-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]benzoic acid IUPAC Name: 3-chloro-4-methoxy-5-[(3,4,5-triethoxybenzoyl)amino]benzoic acid Traditional Name: 3-chloro-4-methoxy-5-[(3,4,5-triethoxybenzoyl)amino]benzoic acid Formula: C21H24ClNO7 MolecularWeight: 437.87076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C(=CC(=C2)C(=O)O)Cl)OC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C(=CC(=C2)C(=O)O)Cl)OC

InChI

InChI=1S/C21H24ClNO7/c1-5-28-16-10-12(11-17(29-6-2)19(16)30-7-3)20(24)23-15-9-13(21(25)26)8-14(22)18(15)27-4/h8-11H,5-7H2,1-4H3,(H,23,24)(H,25,26)