butyl 2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: butyl 2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: butyl 2-[(4-cinnamylpiperazine-1-carbonyl)amino]benzoate CAS Name: 2-[[oxo-[4-(3-phenylprop-2-enyl)-1-piperazinyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 2-[[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 2-[(4-cinnamylpiperazine-1-carbonyl)amino]benzoic acid butyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)CC=CC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O3/c1-2-3-20-31-24(29)22-13-7-8-14-23(22)26-25(30)28-18-16-27(17-19-28)15-9-12-21-10-5-4-6-11-21/h4-14H,2-3,15-20H2,1H3,(H,26,30)