[1-(4-bromophenyl)-4-(3-phenylpropanoylamino)but-2-ynyl] benzoate

Systemtic Name: [1-(4-bromophenyl)-4-(3-phenylpropanoylamino)but-2-ynyl] benzoate Openeye Name: [1-(4-bromophenyl)-4-(3-phenylpropanoylamino)but-2-ynyl] benzoate CAS Name: benzoic acid [1-(4-bromophenyl)-4-[(1-oxo-3-phenylpropyl)amino]but-2-ynyl] ester IUPAC Name: [1-(4-bromophenyl)-4-(3-phenylpropanoylamino)but-2-ynyl] benzoate Traditional Name: benzoic acid [1-(4-bromophenyl)-4-(hydrocinnamoylamino)but-2-ynyl] ester Formula: C26H22BrNO3 MolecularWeight: 476.36178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NCC#CC(C2=CC=C(C=C2)Br)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NCC#CC(C2=CC=C(C=C2)Br)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H22BrNO3/c27-23-16-14-21(15-17-23)24(31-26(30)22-10-5-2-6-11-22)12-7-19-28-25(29)18-13-20-8-3-1-4-9-20/h1-6,8-11,14-17,24H,13,18-19H2,(H,28,29)