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

Systemtic Name: ethyl 2-[[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]methyl]but-3-ynoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)C#C

Isomeric SMILES

CCOC(=O)C(CNC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)C#C

InChI

InChI=1S/C21H33N3O4/c1-3-17(21(27)28-4-2)14-23-20(26)18-6-5-13-24(15-18)19(25)8-7-16-9-11-22-12-10-16/h1,16-18,22H,4-15H2,2H3,(H,23,26)