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

Systemtic Name: 5-bromanyl-2-[3-(4-methylphenyl)propanoylamino]benzoic acid Openeye Name: 5-bromo-2-[3-(p-tolyl)propanoylamino]benzoic acid CAS Name: 5-bromo-2-[[3-(4-methylphenyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[3-(4-methylphenyl)propanoylamino]benzoic acid Traditional Name: 5-bromo-2-[3-(p-tolyl)propanoylamino]benzoic acid Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C17H16BrNO3/c1-11-2-4-12(5-3-11)6-9-16(20)19-15-8-7-13(18)10-14(15)17(21)22/h2-5,7-8,10H,6,9H2,1H3,(H,19,20)(H,21,22)