4-[[2-(2-chloranyl-4,6-dimethyl-phenoxy)ethanoylamino]methyl]benzoate

Systemtic Name: 4-[[2-(2-chloranyl-4,6-dimethyl-phenoxy)ethanoylamino]methyl]benzoate Openeye Name: 4-[[[2-(2-chloro-4,6-dimethyl-phenoxy)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(2-chloro-4,6-dimethylphenoxy)-1-oxoethyl]amino]methyl]benzoate IUPAC Name: 4-[[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(2-chloro-4,6-dimethyl-phenoxy)acetyl]amino]methyl]benzoate Formula: C18H17ClNO4- MolecularWeight: 346.78488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)OCC(=O)NCC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)OCC(=O)NCC2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C18H18ClNO4/c1-11-7-12(2)17(15(19)8-11)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)/p-1