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

Systemtic Name: ethyl (3S)-1-[3-[3-methoxypropyl(pyrazin-2-ylcarbonyl)amino]propanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-[3-methoxypropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-[3-methoxypropyl-[oxo(2-pyrazinyl)methyl]amino]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-[3-methoxypropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-[3-methoxypropyl(pyrazinoyl)amino]propanoyl]nipecotic acid ethyl ester Formula: C20H30N4O5 MolecularWeight: 406.476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCN(CCCOC)C(=O)C2=NC=CN=C2

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CCN(CCCOC)C(=O)C2=NC=CN=C2

InChI

InChI=1S/C20H30N4O5/c1-3-29-20(27)16-6-4-10-24(15-16)18(25)7-12-23(11-5-13-28-2)19(26)17-14-21-8-9-22-17/h8-9,14,16H,3-7,10-13,15H2,1-2H3/t16-/m0/s1