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

Systemtic Name: (phenylmethyl) 2-[[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]methyl]but-3-ynoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CNC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C#CC(CNC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O4/c1-2-22(26(32)33-19-21-7-4-3-5-8-21)17-28-25(31)23-9-6-16-29(18-23)24(30)11-10-20-12-14-27-15-13-20/h1,3-5,7-8,20,22-23,27H,6,9-19H2,(H,28,31)