ditert-butyl (E,2S,8S)-6-oxidanylidene-2,8-bis[(9-phenylfluoren-9-yl)amino]non-4-enedioate

Systemtic Name: ditert-butyl (E,2S,8S)-6-oxidanylidene-2,8-bis[(9-phenylfluoren-9-yl)amino]non-4-enedioate Openeye Name: ditert-butyl (E,2S,8S)-6-oxo-2,8-bis[(9-phenylfluoren-9-yl)amino]non-4-enedioate CAS Name: (E,2S,8S)-6-oxo-2,8-bis[(9-phenyl-9-fluorenyl)amino]-4-nonenedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (E,2S,8S)-6-oxo-2,8-bis[(9-phenylfluoren-9-yl)amino]non-4-enedioate Traditional Name: (E,2S,8S)-6-keto-2,8-bis[(9-phenylfluoren-9-yl)amino]non-4-enedioic acid ditert-butyl ester Formula: C55H54N2O5 MolecularWeight: 823.02766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC=CC(=O)CC(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](C/C=C/C(=O)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/C55H54N2O5/c1-52(2,3)61-50(59)48(56-54(37-22-9-7-10-23-37)44-31-17-13-27-40(44)41-28-14-18-32-45(41)54)35-21-26-39(58)36-49(51(60)62-53(4,5)6)57-55(38-24-11-8-12-25-38)46-33-19-15-29-42(46)43-30-16-20-34-47(43)55/h7-34,48-49,56-57H,35-36H2,1-6H3/b26-21+/t48-,49-/m0/s1