methyl (2S)-3-phenyl-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoylamino]propanoate Openeye Name: methyl (2S)-2-[[2-[4-[(E)-cinnamyl]piperazin-1-yl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-[4-[(E)-cinnamyl]piperazino]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CN2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O3/c1-31-25(30)23(19-22-11-6-3-7-12-22)26-24(29)20-28-17-15-27(16-18-28)14-8-13-21-9-4-2-5-10-21/h2-13,23H,14-20H2,1H3,(H,26,29)/b13-8+/t23-/m0/s1