3-methyl-3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]butanoic acid

Systemtic Name: 3-methyl-3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]butanoic acid Openeye Name: 3-methyl-3-[[1-[(E)-3-(4-piperidyl)prop-2-enoyl]piperidine-3-carbonyl]amino]butanoic acid CAS Name: 3-methyl-3-[[oxo-[1-[(E)-1-oxo-3-(4-piperidinyl)prop-2-enyl]-3-piperidinyl]methyl]amino]butanoic acid IUPAC Name: 3-methyl-3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidine-3-carbonyl]amino]butanoic acid Traditional Name: 3-methyl-3-[[1-[(E)-3-(4-piperidyl)acryloyl]nipecotoyl]amino]butyric acid Formula: C19H31N3O4 MolecularWeight: 365.46714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)NC(=O)C1CCCN(C1)C(=O)C=CC2CCNCC2

Isomeric SMILES

CC(C)(CC(=O)O)NC(=O)C1CCCN(C1)C(=O)/C=C/C2CCNCC2

InChI

InChI=1S/C19H31N3O4/c1-19(2,12-17(24)25)21-18(26)15-4-3-11-22(13-15)16(23)6-5-14-7-9-20-10-8-14/h5-6,14-15,20H,3-4,7-13H2,1-2H3,(H,21,26)(H,24,25)/b6-5+