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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)NC(=O)CC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)NC(=O)CC)Br

InChI

InChI=1S/C22H26BrNO4/c1-3-5-6-7-13-27-20-12-11-16(14-19(20)23)22(26)28-18-10-8-9-17(15-18)24-21(25)4-2/h8-12,14-15H,3-7,13H2,1-2H3,(H,24,25)