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

Systemtic Name: ethyl 1-[3-[(5-methylpyrazin-2-yl)carbonyl-(phenylmethyl)amino]propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[benzyl-(5-methylpyrazine-2-carbonyl)amino]propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-[[(5-methyl-2-pyrazinyl)-oxomethyl]-(phenylmethyl)amino]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[benzyl-(5-methylpyrazine-2-carbonyl)amino]propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[benzyl-(5-methylpyrazinoyl)amino]propanoyl]nipecotic acid ethyl ester Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCN(CC2=CC=CC=C2)C(=O)C3=CN=C(C=N3)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCN(CC2=CC=CC=C2)C(=O)C3=CN=C(C=N3)C

InChI

InChI=1S/C24H30N4O4/c1-3-32-24(31)20-10-7-12-27(17-20)22(29)11-13-28(16-19-8-5-4-6-9-19)23(30)21-15-25-18(2)14-26-21/h4-6,8-9,14-15,20H,3,7,10-13,16-17H2,1-2H3