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

Systemtic Name: 2-[(4-butoxy-3-chloranyl-5-methoxy-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(4-butoxy-3-chloro-5-methoxy-benzoyl)amino]terephthalic acid CAS Name: 2-[[(4-butoxy-3-chloro-5-methoxyphenyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]terephthalic acid Traditional Name: 2-[(4-butoxy-3-chloro-5-methoxy-benzoyl)amino]terephthalic acid Formula: C20H20ClNO7 MolecularWeight: 421.8283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OC

InChI

InChI=1S/C20H20ClNO7/c1-3-4-7-29-17-14(21)8-12(10-16(17)28-2)18(23)22-15-9-11(19(24)25)5-6-13(15)20(26)27/h5-6,8-10H,3-4,7H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)