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

Systemtic Name: 4-[2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-(4-chloro-2,6-dimethyl-phenoxy)acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-(4-chloro-2,6-dimethylphenoxy)-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-(4-chloro-2,6-dimethylphenoxy)acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-(4-chloro-2,6-dimethyl-phenoxy)acetyl]amino]-3-methyl-benzoic acid Formula: C18H18ClNO4 MolecularWeight: 347.79282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=C(C=C(C=C2)C(=O)O)C)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=C(C=C(C=C2)C(=O)O)C)C)Cl

InChI

InChI=1S/C18H18ClNO4/c1-10-6-13(18(22)23)4-5-15(10)20-16(21)9-24-17-11(2)7-14(19)8-12(17)3/h4-8H,9H2,1-3H3,(H,20,21)(H,22,23)