HIT ID: HIT100923129
Cas No: 3566-55-0
分子式: C24H30O5
分子量: 398.499
常用名: Compound N042-0012
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 6.026999999999998e+000
IUPAC: 3-[(1S,2S,3S)-2,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl]propanoic acid
IUPAC: 3-[(1S,2S,3S)-2,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl]propanoic acid
SMILES: [#6]-[#6@H]1-[#6]-[#6]\[#6](-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)[C@@]1([#6])[#6]-[#8]-c1ccc2ccc(=O)oc2c1)=[#6](/[#6])-[#6]
SMILES: [#6]-[#6@H]1-[#6]-[#6]\[#6](-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)[C@@]1([#6])[#6]-[#8]-c1ccc2ccc(=O)oc2c1)=[#6](/[#6])-[#6]
InChI key: CVWWNYPTZYQCSE-YFBXQHAESA-N
