ethyl 1-[3-[3-methylbutyl-(5-methylpyrazin-2-yl)carbonyl-amino]propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[3-methylbutyl-(5-methylpyrazin-2-yl)carbonyl-amino]propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[isopentyl-(5-methylpyrazine-2-carbonyl)amino]propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-[3-methylbutyl-[(5-methyl-2-pyrazinyl)-oxomethyl]amino]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[3-methylbutyl-(5-methylpyrazine-2-carbonyl)amino]propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[isoamyl-(5-methylpyrazinoyl)amino]propanoyl]nipecotic acid ethyl ester Formula: C22H34N4O4 MolecularWeight: 418.52976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCN(CCC(C)C)C(=O)C2=CN=C(C=N2)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCN(CCC(C)C)C(=O)C2=CN=C(C=N2)C

InChI

InChI=1S/C22H34N4O4/c1-5-30-22(29)18-7-6-10-26(15-18)20(27)9-12-25(11-8-16(2)3)21(28)19-14-23-17(4)13-24-19/h13-14,16,18H,5-12,15H2,1-4H3