4-[[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]methyl]benzoic acid Openeye Name: 4-[[2-(4-chloro-2-methyl-phenoxy)propanoylamino]methyl]benzoic acid CAS Name: 4-[[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-[[2-(4-chloro-2-methylphenoxy)propanoylamino]methyl]benzoic acid Traditional Name: 4-[[2-(4-chloro-2-methyl-phenoxy)propanoylamino]methyl]benzoic acid Formula: C18H18ClNO4 MolecularWeight: 347.79282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

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