Bonellin
Molecular Formula:
C31H34N4O4
InChI: InChI=1/C31H34N4O4/c1-16-10-20-13-25-18(3)21(6-8-29(36)37)26(34-25)14-27-22(7-9-30(38)39)31(4,5)28(35-27)15-24-17(2)11-19(33-24)12-23(16)32-20/h10-15,22,32-33H,6-9H2,1-5H3,(H,36,37)(H,38,39)/b19-12-,20-13-,23-12-,24-15-,25-13-,26-14-,27-14-,28-15-/f/h36,38H
InChIKey: InChIKey=WQVJNMVWRHHIGN-FVCOSXEHDI
SMILES: CC1=CC2=CC3=C(C=C(N3)C=C4C(=C(C(=N4)C=C5C(C(C(=N5)C=C1N2)(C)C)CCC(=O)O)CCC(=O)O)C)C
Names:
Bonellin
NSC298888
Registries:
PubChem CID 326809
PubChem ID 147770
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