Name: Compound N014-0002
Rating: 5 (10 reviews)

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HIT ID:HIT103821784
Cas No:
常用名:Compound N014-0002
IUPAC:methyl 3-(1,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl)propanoate
IUPAC:methyl 3-(1,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl)propanoate
InChI key:LYSHMNVQUVJTGP-UHFFFAOYSA-N

分子式:C25H32O5
分子量:412.526
氢键供体数 (HBD):0
氢键受体数 (HBA):7
LogP:5.1673
SMILES:[#6]-[#8]-[#6](=O)-[#6]-[#6]C1([#6])[#6](-[#6]-[#8]-c2ccc3ccc(=O)oc3c2)-[#6](-[#6])-[#6]-[#6]\[#6]1=[#6](/[#6])-[#6]
SMILES:[#6]-[#8]-[#6](=O)-[#6]-[#6]C1([#6])[#6](-[#6]-[#8]-c2ccc3ccc(=O)oc3c2)-[#6](-[#6])-[#6]-[#6]\[#6]1=[#6](/[#6])-[#6]

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