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

Systemtic Name: 2-[[3-chloranyl-5-methoxy-4-(3-methylbutoxy)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[(3-chloro-4-isopentyloxy-5-methoxy-benzoyl)amino]terephthalic acid CAS Name: 2-[[[3-chloro-5-methoxy-4-(3-methylbutoxy)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]amino]terephthalic acid Traditional Name: 2-[(3-chloro-4-isoamoxy-5-methoxy-benzoyl)amino]terephthalic acid Formula: C21H22ClNO7 MolecularWeight: 435.85488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)OC

InChI

InChI=1S/C21H22ClNO7/c1-11(2)6-7-30-18-15(22)8-13(10-17(18)29-3)19(24)23-16-9-12(20(25)26)4-5-14(16)21(27)28/h4-5,8-11H,6-7H2,1-3H3,(H,23,24)(H,25,26)(H,27,28)