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

Systemtic Name: 4-[[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]methyl]benzoic acid Formula: C18H18ClNO4 MolecularWeight: 347.79282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H18ClNO4/c1-11-7-15(8-12(2)17(11)19)24-10-16(21)20-9-13-3-5-14(6-4-13)18(22)23/h3-8H,9-10H2,1-2H3,(H,20,21)(H,22,23)