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

Systemtic Name: phenyl 2-[[[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]methyl]but-3-ynoate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CNC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C#CC(CNC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O4/c1-2-20(25(31)32-22-8-4-3-5-9-22)17-27-24(30)21-7-6-16-28(18-21)23(29)11-10-19-12-14-26-15-13-19/h1,3-5,8-9,19-21,26H,6-7,10-18H2,(H,27,30)