IUPAC: methyl 4-[2-[2-(4-cyanophenyl)ethyl]-4-(2-hydroxyphenyl)but-3-enyl]benzoate

SMILES: COC(=O)c1ccc(CC(C=Cc2ccccc2O)CCc2ccc(C#N)cc2)cc1

Canonical SMILES: COC(=O)C1=CC=C(C=C1)CC(CCC2=CC=C(C=C2)C#N)C=CC3=CC=CC=C3O

分子式: C27H25NO3

分子量: 411.50

InChIKey: DMOYAPRJXHVRBQ-UHFFFAOYSA-N

InChI:

InChI=1S/C27H25NO3/c1-31-27(30)25-16-13-22(14-17-25)18-21(12-15-24-4-2-3-5-26(24)29)9-6-20-7-10-23(19-28)11-8-20/h2-5,7-8,10-17,21,29H,6,9,18H2,1H3

同义词

SCHEMBL2295663