Bis[2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] 2,4-diphenylcyclobutane-1,3-dicarboxylate, stereoisomer
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Bis[2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] 2,4-diphenylcyclobutane-1,3-dicarboxylate, stereoisomer

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Catalog Number ACM490175-1
CAS Number 490-17-5
Synonyms 2,4-Diphenyl-1,3-cyclobutanedicarboxylic acid bis[2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
Molecular Weight 658.8
InChI InChI=1S/C38H46N2O8/c1-39-23-15-17-25(39)31(35(41)45-3)27(19-23)47-37(43)33-29(21-11-7-5-8-12-21)34(30(33)22-13-9-6-10-14-22)38(44)48-28-20-24-16-18-26(40(24)2)32(28)36(42)46-4/h5-14,23-34H,15-20H2,1-4H3/t23-,24-,25+,26+,27-,28-,29,30,31+,32+,33,34/m0/s1
InChI Key BUOSLGZEBFSUDD-BGPZCGNYSA-N
Melting Point 80 °C
Purity 95%+
Complexity 1110
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 8
Exact Mass 658.32541643
Heavy Atom Count 48
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 0
Isomeric SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3C(C(C3C4=CC=CC=C4)C(=O)O[C@H]5C[C@@H]6CC[C@H]([C@H]5C(=O)OC)N6C)C7=CC=CC=C7)C(=O)OC
Monoisotopic Mass 658.32541643
PhysicalState Powder
Rotatable Bond Count 12
Topological Polar Surface Area 112 Ų

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