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

Systemtic Name: [4-(propanoylamino)phenyl] 3-bromanyl-4-(3-methylbutoxy)benzoate Openeye Name: [4-(propanoylamino)phenyl] 3-bromo-4-isopentyloxy-benzoate CAS Name: 3-bromo-4-(3-methylbutoxy)benzoic acid [4-(1-oxopropylamino)phenyl] ester IUPAC Name: [4-(propanoylamino)phenyl] 3-bromo-4-(3-methylbutoxy)benzoate Traditional Name: 3-bromo-4-isoamoxy-benzoic acid (4-propionamidophenyl) ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO4/c1-4-20(24)23-16-6-8-17(9-7-16)27-21(25)15-5-10-19(18(22)13-15)26-12-11-14(2)3/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,24)