ethyl 1-[3-[[(2S)-butan-2-yl]-pyrazin-2-ylcarbonyl-amino]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[[(2S)-butan-2-yl]-pyrazin-2-ylcarbonyl-amino]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[[(1S)-1-methylpropyl]-(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-[[(2S)-butan-2-yl]-[oxo(2-pyrazinyl)methyl]amino]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[(2S)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[[(1S)-1-methylpropyl]-pyrazinoyl-amino]propanoyl]isonipecotic acid ethyl ester Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CCC(=O)N1CCC(CC1)C(=O)OCC)C(=O)C2=NC=CN=C2

Isomeric SMILES

CC[C@H](C)N(CCC(=O)N1CCC(CC1)C(=O)OCC)C(=O)C2=NC=CN=C2

InChI

InChI=1S/C20H30N4O4/c1-4-15(3)24(19(26)17-14-21-9-10-22-17)13-8-18(25)23-11-6-16(7-12-23)20(27)28-5-2/h9-10,14-16H,4-8,11-13H2,1-3H3/t15-/m0/s1