[2-(propanoylamino)phenyl] 3-bromanyl-4-hexoxy-benzoate

Systemtic Name: [2-(propanoylamino)phenyl] 3-bromanyl-4-hexoxy-benzoate Openeye Name: [2-(propanoylamino)phenyl] 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid [2-(1-oxopropylamino)phenyl] ester IUPAC Name: [2-(propanoylamino)phenyl] 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid (2-propionamidophenyl) ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2NC(=O)CC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2NC(=O)CC)Br

InChI

InChI=1S/C22H26BrNO4/c1-3-5-6-9-14-27-19-13-12-16(15-17(19)23)22(26)28-20-11-8-7-10-18(20)24-21(25)4-2/h7-8,10-13,15H,3-6,9,14H2,1-2H3,(H,24,25)