5-[[(3-chloranyl-5-ethoxy-4-propoxy-phenyl)carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[(3-chloranyl-5-ethoxy-4-propoxy-phenyl)carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[(3-chloro-5-ethoxy-4-propoxy-benzoyl)amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(3-chloro-5-ethoxy-4-propoxyphenyl)-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[(3-chloro-5-ethoxy-4-propoxy-benzoyl)amino]methyl]-2-methoxy-benzoic acid Formula: C21H24ClNO6 MolecularWeight: 421.87136

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OCC

InChI

InChI=1S/C21H24ClNO6/c1-4-8-29-19-16(22)10-14(11-18(19)28-5-2)20(24)23-12-13-6-7-17(27-3)15(9-13)21(25)26/h6-7,9-11H,4-5,8,12H2,1-3H3,(H,23,24)(H,25,26)