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

Systemtic Name: 4-phenyl-2-[[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]methyl]butanoic acid Openeye Name: 4-phenyl-2-[[[1-[(E)-3-(4-piperidyl)prop-2-enoyl]piperidine-3-carbonyl]amino]methyl]butanoic acid CAS Name: 2-[[[oxo-[1-[(E)-1-oxo-3-(4-piperidinyl)prop-2-enyl]-3-piperidinyl]methyl]amino]methyl]-4-phenylbutanoic acid IUPAC Name: 4-phenyl-2-[[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidine-3-carbonyl]amino]methyl]butanoic acid Traditional Name: 4-phenyl-2-[[[1-[(E)-3-(4-piperidyl)acryloyl]nipecotoyl]amino]methyl]butyric acid Formula: C25H35N3O4 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2CCNCC2)C(=O)NCC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2CCNCC2)C(=O)NCC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H35N3O4/c29-23(11-9-20-12-14-26-15-13-20)28-16-4-7-22(18-28)24(30)27-17-21(25(31)32)10-8-19-5-2-1-3-6-19/h1-3,5-6,9,11,20-22,26H,4,7-8,10,12-18H2,(H,27,30)(H,31,32)/b11-9+