4-[1-[(E)-3-phenylprop-2-enoyl]oxypropan-2-yl]pyridine-3-carboxylic acid

Systemtic Name: 4-[1-[(E)-3-phenylprop-2-enoyl]oxypropan-2-yl]pyridine-3-carboxylic acid Openeye Name: 4-[1-methyl-2-[(E)-3-phenylprop-2-enoyl]oxy-ethyl]pyridine-3-carboxylic acid CAS Name: 4-[1-[(E)-1-oxo-3-phenylprop-2-enoxy]propan-2-yl]-3-pyridinecarboxylic acid IUPAC Name: 4-[1-[(E)-3-phenylprop-2-enoyl]oxypropan-2-yl]pyridine-3-carboxylic acid Traditional Name: 4-[1-methyl-2-[(E)-3-phenylacryloyl]oxy-ethyl]nicotinic acid Formula: C18H17NO4 MolecularWeight: 311.33188

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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

Isomeric SMILES

CC(COC(=O)/C=C/C1=CC=CC=C1)C2=C(C=NC=C2)C(=O)O

InChI

InChI=1S/C18H17NO4/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)/b8-7+