[3-(propanoylamino)phenyl] 3-bromanyl-4-methyl-benzoate

Systemtic Name: [3-(propanoylamino)phenyl] 3-bromanyl-4-methyl-benzoate Openeye Name: [3-(propanoylamino)phenyl] 3-bromo-4-methyl-benzoate CAS Name: 3-bromo-4-methylbenzoic acid [3-(1-oxopropylamino)phenyl] ester IUPAC Name: [3-(propanoylamino)phenyl] 3-bromo-4-methylbenzoate Traditional Name: 3-bromo-4-methyl-benzoic acid (3-propionamidophenyl) ester Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)OC(=O)C2=CC(=C(C=C2)C)Br

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)OC(=O)C2=CC(=C(C=C2)C)Br

InChI

InChI=1S/C17H16BrNO3/c1-3-16(20)19-13-5-4-6-14(10-13)22-17(21)12-8-7-11(2)15(18)9-12/h4-10H,3H2,1-2H3,(H,19,20)