Picraline
HIT214316118
sdf文件结构编辑类似物检索
HIT ID: HIT214316118
Cas No: 2671-32-1
分子式: C23H26N2O5
分子量: 410.47
常用名: Picraline
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl (1R,9S,11S,14E,15S,17S)-19-[(acetyloxy)methyl]-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.1^{9,15}.0^{1,9}.0^{3,8}.0^{12,17}]nonadeca-3(8),4,6-triene-19-carboxylate
IUPAC: methyl (1R,9S,11S,14E,15S,17S)-19-[(acetyloxy)methyl]-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.1^{9,15}.0^{1,9}.0^{3,8}.0^{12,17}]nonadeca-3(8),4,6-triene-19-carboxylate
SMILES: [H][C@@]12C[C@@]34c5ccccc5N[C@]3(O1)[C@]1([H])C[C@@]([H])(\C(CN21)=C/C)C4(COC(C)=O)C(=O)OC
SMILES: [H][C@@]12C[C@@]34c5ccccc5N[C@]3(O1)[C@]1([H])C[C@@]([H])(\C(CN21)=C/C)C4(COC(C)=O)C(=O)OC
InChI key: DXTJMQCRVFWNBD-ATDXHQETSA-N
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