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

Systemtic Name: butyl 2-[[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]methyl]but-3-ynoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C23H35N3O4 MolecularWeight: 417.5417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O4/c1-3-5-15-30-23(29)19(4-2)16-25-22(28)20-7-6-14-26(17-20)21(27)9-8-18-10-12-24-13-11-18/h2,8-9,18-20,24H,3,5-7,10-17H2,1H3,(H,25,28)/b9-8+