5-bromanyl-2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid Openeye Name: 5-bromo-2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid CAS Name: 5-bromo-2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid Traditional Name: 5-bromo-2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid Formula: C17H16BrNO4 MolecularWeight: 378.21724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C17H16BrNO4/c1-23-13-6-2-11(3-7-13)4-9-16(20)19-15-8-5-12(18)10-14(15)17(21)22/h2-3,5-8,10H,4,9H2,1H3,(H,19,20)(H,21,22)