2-azanylpent-4-ynoyl 1-(2-piperidin-4-yloxyethanoyl)piperidine-3-carboxylate

Systemtic Name: 2-azanylpent-4-ynoyl 1-(2-piperidin-4-yloxyethanoyl)piperidine-3-carboxylate Openeye Name: 2-aminopent-4-ynoyl 1-[2-(4-piperidyloxy)acetyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-(4-piperidinyloxy)ethyl]-3-piperidinecarboxylic acid (2-amino-1-oxopent-4-ynyl) ester IUPAC Name: 2-aminopent-4-ynoyl 1-(2-piperidin-4-yloxyacetyl)piperidine-3-carboxylate Traditional Name: 1-[2-(4-piperidyloxy)acetyl]nipecotic acid 2-aminopent-4-ynoyl ester Formula: C18H27N3O5 MolecularWeight: 365.42408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C(=O)OC(=O)C1CCCN(C1)C(=O)COC2CCNCC2)N

Isomeric SMILES

C#CCC(C(=O)OC(=O)C1CCCN(C1)C(=O)COC2CCNCC2)N

InChI

InChI=1S/C18H27N3O5/c1-2-4-15(19)18(24)26-17(23)13-5-3-10-21(11-13)16(22)12-25-14-6-8-20-9-7-14/h1,13-15,20H,3-12,19H2