5-[2-(2-chloranyl-4,6-dimethyl-phenoxy)ethanoylamino]-3-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-(2-chloranyl-4,6-dimethyl-phenoxy)ethanoylamino]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-(2-chloro-4,6-dimethyl-phenoxy)acetyl]amino]-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-[[2-(2-chloro-4,6-dimethylphenoxy)-1-oxoethyl]amino]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid Traditional Name: 5-[[2-(2-chloro-4,6-dimethyl-phenoxy)acetyl]amino]-2-hydroxy-3-methyl-benzoic acid Formula: C18H18ClNO5 MolecularWeight: 363.79222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO5/c1-9-4-11(3)17(14(19)5-9)25-8-15(21)20-12-6-10(2)16(22)13(7-12)18(23)24/h4-7,22H,8H2,1-3H3,(H,20,21)(H,23,24)