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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC=CC3=CC=CC=C3

InChI

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