(phenylmethyl) 3-[[1-[(E)-3-pyridin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[[1-[(E)-3-pyridin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]propanoate Openeye Name: benzyl 3-[[1-[(E)-3-(4-pyridyl)prop-2-enoyl]piperidine-3-carbonyl]amino]propanoate CAS Name: 3-[[oxo-[1-[(E)-1-oxo-3-pyridin-4-ylprop-2-enyl]-3-piperidinyl]methyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[1-[(E)-3-pyridin-4-ylprop-2-enoyl]piperidine-3-carbonyl]amino]propanoate Traditional Name: 3-[[1-[(E)-3-(4-pyridyl)acryloyl]nipecotoyl]amino]propionic acid benzyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=NC=C2)C(=O)NCCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2=CC=NC=C2)C(=O)NCCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4/c28-22(9-8-19-10-13-25-14-11-19)27-16-4-7-21(17-27)24(30)26-15-12-23(29)31-18-20-5-2-1-3-6-20/h1-3,5-6,8-11,13-14,21H,4,7,12,15-18H2,(H,26,30)/b9-8+