[4-(propanoylamino)phenyl] 5-bromanyl-2-butoxy-benzoate

Systemtic Name: [4-(propanoylamino)phenyl] 5-bromanyl-2-butoxy-benzoate Openeye Name: [4-(propanoylamino)phenyl] 5-bromo-2-butoxy-benzoate CAS Name: 5-bromo-2-butoxybenzoic acid [4-(1-oxopropylamino)phenyl] ester IUPAC Name: [4-(propanoylamino)phenyl] 5-bromo-2-butoxybenzoate Traditional Name: 5-bromo-2-butoxy-benzoic acid (4-propionamidophenyl) ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=C(C=C2)NC(=O)CC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=C(C=C2)NC(=O)CC

InChI

InChI=1S/C20H22BrNO4/c1-3-5-12-25-18-11-6-14(21)13-17(18)20(24)26-16-9-7-15(8-10-16)22-19(23)4-2/h6-11,13H,3-5,12H2,1-2H3,(H,22,23)