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

Systemtic Name: methyl (2S)-3-phenyl-2-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[4-[2-(4-pyridyl)ethyl]piperazine-1-carbonyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[4-(2-pyridin-4-ylethyl)-1-piperazinyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[4-[2-(4-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=NC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCN(CC2)CCC3=CC=NC=C3

InChI

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