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

Systemtic Name: methyl (2S)-3-phenyl-2-[2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoylamino]propanoate Openeye Name: methyl (2S)-2-[[2-(4-benzoylpiperazin-1-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(4-benzoyl-1-piperazinyl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4-benzoylpiperazin-1-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(4-benzoylpiperazino)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-30-23(29)20(16-18-8-4-2-5-9-18)24-21(27)17-25-12-14-26(15-13-25)22(28)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3,(H,24,27)/t20-/m0/s1