methyl 2-[4-(4-bromanylphenoxy)butanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[4-(4-bromanylphenoxy)butanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[4-(4-bromophenoxy)butanoylamino]-3-hydroxy-propanoate CAS Name: 2-[[4-(4-bromophenoxy)-1-oxobutyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[4-(4-bromophenoxy)butanoylamino]-3-hydroxypropanoate Traditional Name: 2-[4-(4-bromophenoxy)butanoylamino]-3-hydroxy-propionic acid methyl ester Formula: C14H18BrNO5 MolecularWeight: 360.20042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CCCOC1=CC=C(C=C1)Br

Isomeric SMILES

COC(=O)C(CO)NC(=O)CCCOC1=CC=C(C=C1)Br

InChI

InChI=1S/C14H18BrNO5/c1-20-14(19)12(9-17)16-13(18)3-2-8-21-11-6-4-10(15)5-7-11/h4-7,12,17H,2-3,8-9H2,1H3,(H,16,18)