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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1CCNCC1)C(=O)N2CCCC(C2)C(=O)NCC(C#C)C(=O)O

Isomeric SMILES

C/C(=C\C1CCNCC1)/C(=O)N2CCCC(C2)C(=O)NCC(C#C)C(=O)O

InChI

InChI=1S/C20H29N3O4/c1-3-16(20(26)27)12-22-18(24)17-5-4-10-23(13-17)19(25)14(2)11-15-6-8-21-9-7-15/h1,11,15-17,21H,4-10,12-13H2,2H3,(H,22,24)(H,26,27)/b14-11+