(E)-1-(2-methylpyrimidin-5-yl)-9-phenylmethoxy-non-1-en-4-one

Systemtic Name: (E)-1-(2-methylpyrimidin-5-yl)-9-phenylmethoxy-non-1-en-4-one Openeye Name: (E)-9-benzyloxy-1-(2-methylpyrimidin-5-yl)non-1-en-4-one CAS Name: (E)-1-(2-methyl-5-pyrimidinyl)-9-phenylmethoxy-1-nonen-4-one IUPAC Name: (E)-1-(2-methylpyrimidin-5-yl)-9-phenylmethoxynon-1-en-4-one Traditional Name: (E)-9-benzoxy-1-(2-methylpyrimidin-5-yl)non-1-en-4-one Formula: C21H26N2O2 MolecularWeight: 338.44334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C=CCC(=O)CCCCCOCC2=CC=CC=C2

Isomeric SMILES

CC1=NC=C(C=N1)/C=C/CC(=O)CCCCCOCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2/c1-18-22-15-20(16-23-18)11-8-13-21(24)12-6-3-7-14-25-17-19-9-4-2-5-10-19/h2,4-5,8-11,15-16H,3,6-7,12-14,17H2,1H3/b11-8+