2-(butylamino)pent-4-ynoyl 1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylate

Systemtic Name: 2-(butylamino)pent-4-ynoyl 1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylate Openeye Name: 2-(butylamino)pent-4-ynoyl 1-[3-(4-piperidyl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinecarboxylic acid [2-(butylamino)-1-oxopent-4-ynyl] ester IUPAC Name: 2-(butylamino)pent-4-ynoyl 1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylate Traditional Name: 1-[3-(4-piperidyl)propanoyl]nipecotic acid 2-(butylamino)pent-4-ynoyl ester Formula: C23H37N3O4 MolecularWeight: 419.55758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(CC#C)C(=O)OC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2

Isomeric SMILES

CCCCNC(CC#C)C(=O)OC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2

InChI

InChI=1S/C23H37N3O4/c1-3-5-13-25-20(7-4-2)23(29)30-22(28)19-8-6-16-26(17-19)21(27)10-9-18-11-14-24-15-12-18/h2,18-20,24-25H,3,5-17H2,1H3