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

Systemtic Name: 3-phenyl-3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 3-phenyl-3-[[1-[(E)-3-(4-piperidyl)prop-2-enoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 3-[[oxo-[1-[(E)-1-oxo-3-(4-piperidinyl)prop-2-enyl]-3-piperidinyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-phenyl-3-[[1-[(E)-3-(4-piperidyl)acryloyl]nipecotoyl]amino]propionic acid Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2CCNCC2)C(=O)NC(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2CCNCC2)C(=O)NC(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4/c27-21(9-8-17-10-12-24-13-11-17)26-14-4-7-19(16-26)23(30)25-20(15-22(28)29)18-5-2-1-3-6-18/h1-3,5-6,8-9,17,19-20,24H,4,7,10-16H2,(H,25,30)(H,28,29)/b9-8+