ditert-butyl (E,2S,10S)-6-oxidanylidene-2,10-bis[(9-phenylfluoren-9-yl)amino]undec-4-enedioate

Systemtic Name: ditert-butyl (E,2S,10S)-6-oxidanylidene-2,10-bis[(9-phenylfluoren-9-yl)amino]undec-4-enedioate Openeye Name: ditert-butyl (E,2S,10S)-6-oxo-2,10-bis[(9-phenylfluoren-9-yl)amino]undec-4-enedioate CAS Name: (E,2S,10S)-6-oxo-2,10-bis[(9-phenyl-9-fluorenyl)amino]-4-undecenedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (E,2S,10S)-6-oxo-2,10-bis[(9-phenylfluoren-9-yl)amino]undec-4-enedioate Traditional Name: (E,2S,10S)-6-keto-2,10-bis[(9-phenylfluoren-9-yl)amino]undec-4-enedioic acid ditert-butyl ester Formula: C57H58N2O5 MolecularWeight: 851.08082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCC(=O)C=CCC(C(=O)OC(C)(C)C)NC1(C2=CC=CC=C2C3=CC=CC=C31)C4=CC=CC=C4)NC5(C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C8

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCCC(=O)/C=C/C[C@@H](C(=O)OC(C)(C)C)NC1(C2=CC=CC=C2C3=CC=CC=C31)C4=CC=CC=C4)NC5(C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C8

InChI

InChI=1S/C57H58N2O5/c1-54(2,3)63-52(61)50(58-56(39-23-9-7-10-24-39)46-33-17-13-29-42(46)43-30-14-18-34-47(43)56)37-21-27-41(60)28-22-38-51(53(62)64-55(4,5)6)59-57(40-25-11-8-12-26-40)48-35-19-15-31-44(48)45-32-16-20-36-49(45)57/h7-21,23-27,29-36,50-51,58-59H,22,28,37-38H2,1-6H3/b27-21+/t50-,51-/m0/s1