3-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-5-chloranyl-4-methoxy-benzoate

Systemtic Name: 3-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-5-chloranyl-4-methoxy-benzoate Openeye Name: 3-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-5-chloro-4-methoxy-benzoate CAS Name: 3-[[2-(2-bromo-4,6-dimethylphenoxy)-1-oxoethyl]amino]-5-chloro-4-methoxybenzoate IUPAC Name: 3-[[2-(2-bromo-4,6-dimethylphenoxy)acetyl]amino]-5-chloro-4-methoxybenzoate Traditional Name: 3-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-5-chloro-4-methoxy-benzoate Formula: C18H16BrClNO5- MolecularWeight: 441.68034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=C(C(=CC(=C2)C(=O)[O-])Cl)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=C(C(=CC(=C2)C(=O)[O-])Cl)OC)C

InChI

InChI=1S/C18H17BrClNO5/c1-9-4-10(2)16(12(19)5-9)26-8-15(22)21-14-7-11(18(23)24)6-13(20)17(14)25-3/h4-7H,8H2,1-3H3,(H,21,22)(H,23,24)/p-1