2-[[[1-[(E)-4-piperidin-3-ylbut-2-enoyl]piperidin-3-yl]carbonylamino]methyl]but-3-ynoic acid

Systemtic Name: 2-[[[1-[(E)-4-piperidin-3-ylbut-2-enoyl]piperidin-3-yl]carbonylamino]methyl]but-3-ynoic acid Openeye Name: 2-[[[1-[(E)-4-(3-piperidyl)but-2-enoyl]piperidine-3-carbonyl]amino]methyl]but-3-ynoic acid CAS Name: 2-[[[oxo-[1-[(E)-1-oxo-4-(3-piperidinyl)but-2-enyl]-3-piperidinyl]methyl]amino]methyl]-3-butynoic acid IUPAC Name: 2-[[[1-[(E)-4-piperidin-3-ylbut-2-enoyl]piperidine-3-carbonyl]amino]methyl]but-3-ynoic acid Traditional Name: 2-[[[1-[(E)-4-(3-piperidyl)but-2-enoyl]nipecotoyl]amino]methyl]but-3-ynoic acid Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CNC(=O)C1CCCN(C1)C(=O)C=CCC2CCCNC2)C(=O)O

Isomeric SMILES

C#CC(CNC(=O)C1CCCN(C1)C(=O)/C=C/CC2CCCNC2)C(=O)O

InChI

InChI=1S/C20H29N3O4/c1-2-16(20(26)27)13-22-19(25)17-8-5-11-23(14-17)18(24)9-3-6-15-7-4-10-21-12-15/h1,3,9,15-17,21H,4-8,10-14H2,(H,22,25)(H,26,27)/b9-3+