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

Systemtic Name: ethyl 1-[3-[3-methylbutyl(pyrazin-2-ylcarbonyl)amino]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[isopentyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-[3-methylbutyl-[oxo(2-pyrazinyl)methyl]amino]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[3-methylbutyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[isoamyl(pyrazinoyl)amino]propanoyl]isonipecotic acid ethyl ester Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCN(CCC(C)C)C(=O)C2=NC=CN=C2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCN(CCC(C)C)C(=O)C2=NC=CN=C2

InChI

InChI=1S/C21H32N4O4/c1-4-29-21(28)17-6-12-24(13-7-17)19(26)8-14-25(11-5-16(2)3)20(27)18-15-22-9-10-23-18/h9-10,15-17H,4-8,11-14H2,1-3H3