methyl (2S)-3-phenyl-2-[[4-(2-pyridin-2-ylethyl)piperazin-1-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[[4-(2-pyridin-2-ylethyl)piperazin-1-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[4-[2-(2-pyridyl)ethyl]piperazine-1-carbonyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[4-[2-(2-pyridinyl)ethyl]-1-piperazinyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[4-[2-(2-pyridyl)ethyl]piperazine-1-carbonyl]amino]propionic acid methyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCN(CC2)CCC3=CC=CC=N3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCN(CC2)CCC3=CC=CC=N3

InChI

InChI=1S/C22H28N4O3/c1-29-21(27)20(17-18-7-3-2-4-8-18)24-22(28)26-15-13-25(14-16-26)12-10-19-9-5-6-11-23-19/h2-9,11,20H,10,12-17H2,1H3,(H,24,28)/t20-/m0/s1