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

Systemtic Name: methyl 3-[4-(3-bromanylphenoxy)butanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[4-(3-bromophenoxy)butanoylamino]-4-methyl-benzoate CAS Name: 3-[[4-(3-bromophenoxy)-1-oxobutyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-(3-bromophenoxy)butanoylamino]-4-methylbenzoate Traditional Name: 3-[4-(3-bromophenoxy)butanoylamino]-4-methyl-benzoic acid methyl ester Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCOC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C19H20BrNO4/c1-13-8-9-14(19(23)24-2)11-17(13)21-18(22)7-4-10-25-16-6-3-5-15(20)12-16/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,21,22)