pentyl 2-[[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]methyl]but-3-ynoate

Systemtic Name: pentyl 2-[[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]methyl]but-3-ynoate Openeye Name: pentyl 2-[[[1-[(E)-3-(4-piperidyl)prop-2-enoyl]piperidine-3-carbonyl]amino]methyl]but-3-ynoate CAS Name: 2-[[[oxo-[1-[(E)-1-oxo-3-(4-piperidinyl)prop-2-enyl]-3-piperidinyl]methyl]amino]methyl]-3-butynoic acid pentyl ester IUPAC Name: pentyl 2-[[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidine-3-carbonyl]amino]methyl]but-3-ynoate Traditional Name: 2-[[[1-[(E)-3-(4-piperidyl)acryloyl]nipecotoyl]amino]methyl]but-3-ynoic acid amyl ester Formula: C24H37N3O4 MolecularWeight: 431.56828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(CNC(=O)C1CCCN(C1)C(=O)C=CC2CCNCC2)C#C

Isomeric SMILES

CCCCCOC(=O)C(CNC(=O)C1CCCN(C1)C(=O)/C=C/C2CCNCC2)C#C

InChI

InChI=1S/C24H37N3O4/c1-3-5-6-16-31-24(30)20(4-2)17-26-23(29)21-8-7-15-27(18-21)22(28)10-9-19-11-13-25-14-12-19/h2,9-10,19-21,25H,3,5-8,11-18H2,1H3,(H,26,29)/b10-9+