2-[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]terephthalic acid

Systemtic Name: 2-[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]terephthalic acid Openeye Name: 2-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]terephthalic acid CAS Name: 2-[[4-(4-chloro-3-methylphenoxy)-1-oxobutyl]amino]terephthalic acid IUPAC Name: 2-[4-(4-chloro-3-methylphenoxy)butanoylamino]terephthalic acid Traditional Name: 2-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]terephthalic acid Formula: C19H18ClNO6 MolecularWeight: 391.80232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C19H18ClNO6/c1-11-9-13(5-7-15(11)20)27-8-2-3-17(22)21-16-10-12(18(23)24)4-6-14(16)19(25)26/h4-7,9-10H,2-3,8H2,1H3,(H,21,22)(H,23,24)(H,25,26)