2-[[2-(4-chlorophenyl)-3-methyl-butanoyl]amino]terephthalic acid

Systemtic Name: 2-[[2-(4-chlorophenyl)-3-methyl-butanoyl]amino]terephthalic acid Openeye Name: 2-[[2-(4-chlorophenyl)-3-methyl-butanoyl]amino]terephthalic acid CAS Name: 2-[[2-(4-chlorophenyl)-3-methyl-1-oxobutyl]amino]terephthalic acid IUPAC Name: 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]terephthalic acid Traditional Name: 2-[[2-(4-chlorophenyl)-3-methyl-butanoyl]amino]terephthalic acid Formula: C19H18ClNO5 MolecularWeight: 375.80292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO5/c1-10(2)16(11-3-6-13(20)7-4-11)17(22)21-15-9-12(18(23)24)5-8-14(15)19(25)26/h3-10,16H,1-2H3,(H,21,22)(H,23,24)(H,25,26)