2-adamantyl 2-[[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]methyl]but-3-ynoate

Systemtic Name: 2-adamantyl 2-[[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]methyl]but-3-ynoate Openeye Name: 2-adamantyl 2-[[[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]methyl]but-3-ynoate CAS Name: 2-[[[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]methyl]-3-butynoic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 2-[[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]methyl]but-3-ynoate Traditional Name: 2-[[[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]methyl]but-3-ynoic acid 2-adamantyl ester Formula: C29H43N3O4 MolecularWeight: 497.66942

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CNC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)C(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C#CC(CNC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)C(=O)OC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C29H43N3O4/c1-2-22(29(35)36-27-24-13-20-12-21(15-24)16-25(27)14-20)17-31-28(34)23-4-3-11-32(18-23)26(33)6-5-19-7-9-30-10-8-19/h1,19-25,27,30H,3-18H2,(H,31,34)