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

Systemtic Name: methyl 2-[[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]methyl]but-3-ynoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4/c1-3-16(20(26)27-2)13-22-19(25)17-5-4-12-23(14-17)18(24)7-6-15-8-10-21-11-9-15/h1,15-17,21H,4-14H2,2H3,(H,22,25)