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

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 2-[[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]methyl]but-3-ynoate Openeye Name: 2,2-dimethylpropanoyloxymethyl 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 (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 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 pivaloyloxymethyl ester Formula: C25H37N3O6 MolecularWeight: 475.57778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C(CNC(=O)C1CCCN(C1)C(=O)C=CC2CCNCC2)C#C

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C(CNC(=O)C1CCCN(C1)C(=O)/C=C/C2CCNCC2)C#C

InChI

InChI=1S/C25H37N3O6/c1-5-19(23(31)33-17-34-24(32)25(2,3)4)15-27-22(30)20-7-6-14-28(16-20)21(29)9-8-18-10-12-26-13-11-18/h1,8-9,18-20,26H,6-7,10-17H2,2-4H3,(H,27,30)/b9-8+