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

Systemtic Name: methyl 3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 3-[(4-cinnamylpiperazine-1-carbonyl)amino]benzoate CAS Name: 3-[[oxo-[4-(3-phenylprop-2-enyl)-1-piperazinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 3-[(4-cinnamylpiperazine-1-carbonyl)amino]benzoic acid methyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)CC=CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-28-21(26)19-10-5-11-20(17-19)23-22(27)25-15-13-24(14-16-25)12-6-9-18-7-3-2-4-8-18/h2-11,17H,12-16H2,1H3,(H,23,27)