(E)-1-[4-(hydroxymethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridin-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(hydroxymethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridin-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(hydroxymethyl)-4-[(3-methoxyphenyl)methyl]-1-piperidyl]-3-(2-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[4-(hydroxymethyl)-4-[(3-methoxyphenyl)methyl]-1-piperidinyl]-3-(2-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(hydroxymethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one Traditional Name: (E)-1-(4-m-anisyl-4-methylol-piperidino)-3-(2-pyridyl)prop-2-en-1-one Formula: C22H26N2O3 MolecularWeight: 366.45344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2(CCN(CC2)C(=O)C=CC3=CC=CC=N3)CO

Isomeric SMILES

COC1=CC=CC(=C1)CC2(CCN(CC2)C(=O)/C=C/C3=CC=CC=N3)CO

InChI

InChI=1S/C22H26N2O3/c1-27-20-7-4-5-18(15-20)16-22(17-25)10-13-24(14-11-22)21(26)9-8-19-6-2-3-12-23-19/h2-9,12,15,25H,10-11,13-14,16-17H2,1H3/b9-8+