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2-Ethoxy-4-(1-oxo-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl cyclohexanecarboxylate
SpectraBase Compound ID GRAvHQmbpwF
InChI InChI=1S/C34H36N2O4/c1-2-39-31-21-24(17-18-30(31)40-34(38)23-13-7-4-8-14-23)33-32-28(35-26-15-9-10-16-27(26)36-33)19-25(20-29(32)37)22-11-5-3-6-12-22/h3,5-6,9-12,15-18,21,23,25,33,35-36H,2,4,7-8,13-14,19-20H2,1H3
InChIKey LUSZUGHWOXRANK-UHFFFAOYSA-N
Mol Weight 536.7 g/mol
Molecular Formula C34H36N2O4
Exact Mass 536.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1wuNZQr47Cs
Name 2-Ethoxy-4-(1-oxo-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl cyclohexanecarboxylate
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Formula C34H36N2O4
InChI InChI=1S/C34H36N2O4/c1-2-39-31-21-24(17-18-30(31)40-34(38)23-13-7-4-8-14-23)33-32-28(35-26-15-9-10-16-27(26)36-33)19-25(20-29(32)37)22-11-5-3-6-12-22/h3,5-6,9-12,15-18,21,23,25,33,35-36H,2,4,7-8,13-14,19-20H2,1H3
InChIKey LUSZUGHWOXRANK-UHFFFAOYSA-N
Molecular Weight 536.672 g/mol
SMILES N1c2ccccc2NC(C2=C1CC(CC2=O)c1ccccc1)c1cc(OCC)c(OC(=O)C2CCCCC2)cc1
SPLASH splash10-000i-5390100000-35ee308da50dcc9fa887
Synonyms cyclohexanecarboxylic acid [2-ethoxy-4-(7-oxo-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl)phenyl] ester [2-ethoxy-4-(7-oxo-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl)phenyl] cyclohexanecarboxylate [2-ethoxy-4-(7-oxidanylidene-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl)phenyl] cyclohexanecarboxylate
Wiley ID 1454566