HIT ID: HIT212035919
Cas No: 1248-42-6
分子式: C22H26ClNO4
分子量: 403.9
常用名: Pitofenone hydrochloride
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 4.147415
IUPAC: methyl 2-{4-[2-(piperidin-1-yl)ethoxy]benzoyl}benzoate hydrochloride
IUPAC: methyl 2-{4-[2-(piperidin-1-yl)ethoxy]benzoyl}benzoate hydrochloride
SMILES: Cl.COC(=O)c1ccccc1C(=O)c1ccc(OCCN2CCCCC2)cc1
SMILES: Cl.COC(=O)c1ccccc1C(=O)c1ccc(OCCN2CCCCC2)cc1
InChI key: ZRFIFDFEDPJBII-UHFFFAOYSA-N