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819812-04-9 molecular structure
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2-(2-ethyl-3,5-dihydroxy-6-{3-methoxy-4-[2-(morpholin-4-yl)ethoxy]benzoyl}phenyl)-N,N-bis(2-methoxyethyl)acetamide

ChemBase ID: 73129
Molecular Formular: C30H42N2O9
Molecular Mass: 574.66248
Monoisotopic Mass: 574.28903093
SMILES and InChIs

SMILES:
c1c(c(c(c(c1O)C(=O)c1ccc(c(c1)OC)OCCN1CCOCC1)CC(=O)N(CCOC)CCOC)CC)O
Canonical SMILES:
COCCN(C(=O)Cc1c(c(O)cc(c1CC)O)C(=O)c1ccc(c(c1)OC)OCCN1CCOCC1)CCOC
InChI:
InChI=1S/C30H42N2O9/c1-5-22-23(19-28(35)32(11-13-37-2)12-14-38-3)29(25(34)20-24(22)33)30(36)21-6-7-26(27(18-21)39-4)41-17-10-31-8-15-40-16-9-31/h6-7,18,20,33-34H,5,8-17,19H2,1-4H3
InChIKey:
VFUXSYAXEKYYMB-UHFFFAOYSA-N

Cite this record

CBID:73129 http://www.chembase.cn/molecule-73129.html

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