methyl 3-[4-(3-bromanylphenoxy)butanoylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[4-(3-bromanylphenoxy)butanoylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[4-(3-bromophenoxy)butanoylamino]-4-chloro-benzoate CAS Name: 3-[[4-(3-bromophenoxy)-1-oxobutyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(3-bromophenoxy)butanoylamino]-4-chlorobenzoate Traditional Name: 3-[4-(3-bromophenoxy)butanoylamino]-4-chloro-benzoic acid methyl ester Formula: C18H17BrClNO4 MolecularWeight: 426.68888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCCOC2=CC(=CC=C2)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H17BrClNO4/c1-24-18(23)12-7-8-15(20)16(10-12)21-17(22)6-3-9-25-14-5-2-4-13(19)11-14/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,21,22)