4-[1-[(E)-3-phenylprop-2-enoyl]oxypropan-2-yl]pyridine-3-carboxylate chloride

Systemtic Name: 4-[1-[(E)-3-phenylprop-2-enoyl]oxypropan-2-yl]pyridine-3-carboxylate chloride Openeye Name: 4-[1-methyl-2-[(E)-3-phenylprop-2-enoyl]oxy-ethyl]pyridine-3-carboxylate chloride CAS Name: 4-[1-[(E)-1-oxo-3-phenylprop-2-enoxy]propan-2-yl]-3-pyridinecarboxylate chloride IUPAC Name: 4-[1-[(E)-3-phenylprop-2-enoyl]oxypropan-2-yl]pyridine-3-carboxylate chloride Traditional Name: 4-[1-methyl-2-[(E)-3-phenylacryloyl]oxy-ethyl]nicotinate chloride Formula: C18H16ClNO4-2 MolecularWeight: 345.77694

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C=CC1=CC=CC=C1)C2=C(C=NC=C2)C(=O)[O-].[Cl-]

Isomeric SMILES

CC(COC(=O)/C=C/C1=CC=CC=C1)C2=C(C=NC=C2)C(=O)[O-].[Cl-]

InChI

InChI=1S/C18H17NO4.ClH/c1-13(15-9-10-19-11-16(15)18(21)22)12-23-17(20)8-7-14-5-3-2-4-6-14;/h2-11,13H,12H2,1H3,(H,21,22);1H/p-2/b8-7+;