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

Systemtic Name: methyl (2S)-4-methyl-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoylamino]pentanoate Openeye Name: methyl (2S)-2-[[2-[4-[(E)-cinnamyl]piperazin-1-yl]acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]pentanoate Traditional Name: (2S)-2-[[2-[4-[(E)-cinnamyl]piperazino]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CN1CCN(CC1)CC=CC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)CN1CCN(CC1)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H33N3O3/c1-18(2)16-20(22(27)28-3)23-21(26)17-25-14-12-24(13-15-25)11-7-10-19-8-5-4-6-9-19/h4-10,18,20H,11-17H2,1-3H3,(H,23,26)/b10-7+/t20-/m0/s1