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

Systemtic Name: [3-(propanoylamino)phenyl] 3-bromanyl-4-butoxy-benzoate Openeye Name: [3-(propanoylamino)phenyl] 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid [3-(1-oxopropylamino)phenyl] ester IUPAC Name: [3-(propanoylamino)phenyl] 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid (3-propionamidophenyl) ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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