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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC

InChI

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