Methyl Ergoline Acid
HIT214432620
sdf文件结构编辑类似物检索
HIT ID: HIT214432620
Cas No: 4579-64-0
分子式: C17H18N2O2
分子量: 282.343
常用名: Methyl Ergoline Acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl (4R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxylate
IUPAC: methyl (4R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxylate
SMILES: COC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
SMILES: COC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
InChI key: RNHDWLRHUJZABX-IAQYHMDHSA-N
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