ethyl 1-[3-[(4-fluorophenyl)methyl-(5-methylpyrazin-2-yl)carbonyl-amino]propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[(4-fluorophenyl)methyl-(5-methylpyrazin-2-yl)carbonyl-amino]propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[(4-fluorophenyl)methyl-(5-methylpyrazine-2-carbonyl)amino]propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-[(4-fluorophenyl)methyl-[(5-methyl-2-pyrazinyl)-oxomethyl]amino]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(4-fluorophenyl)methyl-(5-methylpyrazine-2-carbonyl)amino]propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[(4-fluorobenzyl)-(5-methylpyrazinoyl)amino]propanoyl]nipecotic acid ethyl ester Formula: C24H29FN4O4 MolecularWeight: 456.509863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29FN4O4/c1-3-33-24(32)19-5-4-11-28(16-19)22(30)10-12-29(15-18-6-8-20(25)9-7-18)23(31)21-14-26-17(2)13-27-21/h6-9,13-14,19H,3-5,10-12,15-16H2,1-2H3