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1022050-89-0 molecular structure
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2-chloro-N-{2-[(3'-{[2-(2-chloroacetamido)ethyl](methyl)amino}-3-oxo-4'a,9'a-dihydro-3H-spiro[2-benzofuran-1,9'-xanthene]-6'-yl)(methyl)amino]ethyl}acetamide

ChemBase ID: 162239
Molecular Formular: C30H32Cl2N4O5
Molecular Mass: 599.50488
Monoisotopic Mass: 598.1749755
SMILES and InChIs

SMILES:
c1c(ccc2c1OC1C(C32c2c(C(=O)O3)cccc2)C=CC(=C1)N(CCNC(=O)CCl)C)N(CCNC(=O)CCl)C
Canonical SMILES:
ClCC(=O)NCCN(C1=CC2C(C=C1)C1(OC(=O)c3c1cccc3)c1c(O2)cc(cc1)N(CCNC(=O)CCl)C)C
InChI:
InChI=1S/C30H32Cl2N4O5/c1-35(13-11-33-27(37)17-31)19-7-9-23-25(15-19)40-26-16-20(36(2)14-12-34-28(38)18-32)8-10-24(26)30(23)22-6-4-3-5-21(22)29(39)41-30/h3-10,15-16,23,25H,11-14,17-18H2,1-2H3,(H,33,37)(H,34,38)
InChIKey:
OFLJUXJLIDVVLM-UHFFFAOYSA-N

Cite this record

CBID:162239 http://www.chembase.cn/molecule-162239.html

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