methyl 5-[4-(3-bromanylphenoxy)butanoylamino]-2,4-bis(fluoranyl)benzoate

Systemtic Name: methyl 5-[4-(3-bromanylphenoxy)butanoylamino]-2,4-bis(fluoranyl)benzoate Openeye Name: methyl 5-[4-(3-bromophenoxy)butanoylamino]-2,4-difluoro-benzoate CAS Name: 5-[[4-(3-bromophenoxy)-1-oxobutyl]amino]-2,4-difluorobenzoic acid methyl ester IUPAC Name: methyl 5-[4-(3-bromophenoxy)butanoylamino]-2,4-difluorobenzoate Traditional Name: 5-[4-(3-bromophenoxy)butanoylamino]-2,4-difluoro-benzoic acid methyl ester Formula: C18H16BrF2NO4 MolecularWeight: 428.224746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)CCCOC2=CC(=CC=C2)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)CCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H16BrF2NO4/c1-25-18(24)13-9-16(15(21)10-14(13)20)22-17(23)6-3-7-26-12-5-2-4-11(19)8-12/h2,4-5,8-10H,3,6-7H2,1H3,(H,22,23)