methyl 2-[3-(3-bromophenyl)propanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[3-(3-bromophenyl)propanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[3-(3-bromophenyl)propanoylamino]-3-hydroxy-propanoate CAS Name: 2-[[3-(3-bromophenyl)-1-oxopropyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[3-(3-bromophenyl)propanoylamino]-3-hydroxypropanoate Traditional Name: 2-[3-(3-bromophenyl)propanoylamino]-3-hydroxy-propionic acid methyl ester Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CCC1=CC(=CC=C1)Br

Isomeric SMILES

COC(=O)C(CO)NC(=O)CCC1=CC(=CC=C1)Br

InChI

InChI=1S/C13H16BrNO4/c1-19-13(18)11(8-16)15-12(17)6-5-9-3-2-4-10(14)7-9/h2-4,7,11,16H,5-6,8H2,1H3,(H,15,17)