HIT ID: HIT212717695
Cas No: 70045-24-8
分子式: C22H27NO5
分子量: 385.46
常用名: Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1:1)
常用名: Phenol, m-(2-(N-ethylphenethylamino)ethyl)-, fumarate (1:1)
氢键受体数 (HBA): 2
氢键供体数 (HBD): 1
LogP: 3.6791341
IUPAC: (2E)-but-2-enedioic acid; 3-{2-[ethyl(2-phenylethyl)amino]ethyl}phenol
IUPAC: (2E)-but-2-enedioic acid; 3-{2-[ethyl(2-phenylethyl)amino]ethyl}phenol
SMILES: OC(=O)\C=C\C(O)=O.CCN(CCc1ccccc1)CCc1cccc(O)c1
SMILES: OC(=O)\C=C\C(O)=O.CCN(CCc1ccccc1)CCc1cccc(O)c1
InChI key: USQBFIHOJXACAX-WLHGVMLRSA-N