3-[[2-(4-bromanylphenoxy)-2-methyl-propanoyl]amino]-5-chloranyl-4-methoxy-benzoic acid

Systemtic Name: 3-[[2-(4-bromanylphenoxy)-2-methyl-propanoyl]amino]-5-chloranyl-4-methoxy-benzoic acid Openeye Name: 3-[[2-(4-bromophenoxy)-2-methyl-propanoyl]amino]-5-chloro-4-methoxy-benzoic acid CAS Name: 3-[[2-(4-bromophenoxy)-2-methyl-1-oxopropyl]amino]-5-chloro-4-methoxybenzoic acid IUPAC Name: 3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-5-chloro-4-methoxybenzoic acid Traditional Name: 3-[[2-(4-bromophenoxy)-2-methyl-propanoyl]amino]-5-chloro-4-methoxy-benzoic acid Formula: C18H17BrClNO5 MolecularWeight: 442.68828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=C(C(=CC(=C1)C(=O)O)Cl)OC)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C(=O)NC1=C(C(=CC(=C1)C(=O)O)Cl)OC)OC2=CC=C(C=C2)Br

InChI

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