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

Systemtic Name: ethyl 1-[3-[(phenylmethyl)-pyrazin-2-ylcarbonyl-amino]propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[benzyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-3-[[oxo(2-pyrazinyl)methyl]-(phenylmethyl)amino]propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[benzyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[benzyl(pyrazinoyl)amino]propanoyl]nipecotic acid ethyl ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4/c1-2-31-23(30)19-9-6-13-26(17-19)21(28)10-14-27(16-18-7-4-3-5-8-18)22(29)20-15-24-11-12-25-20/h3-5,7-8,11-12,15,19H,2,6,9-10,13-14,16-17H2,1H3