ethyl 4-[[1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]carbamoylamino]benzoate Openeye Name: ethyl 4-[1-[4-[(E)-cinnamyl]piperazine-1-carbonyl]butylcarbamoylamino]benzoate CAS Name: 4-[[oxo-[[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]pentan-2-yl]amino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]carbamoylamino]benzoate Traditional Name: 4-[1-[4-[(E)-cinnamyl]piperazine-1-carbonyl]butylcarbamoylamino]benzoic acid ethyl ester Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCN(CC1)CC=CC2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCC(C(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C28H36N4O4/c1-3-9-25(30-28(35)29-24-15-13-23(14-16-24)27(34)36-4-2)26(33)32-20-18-31(19-21-32)17-8-12-22-10-6-5-7-11-22/h5-8,10-16,25H,3-4,9,17-21H2,1-2H3,(H2,29,30,35)/b12-8+