ditert-butyl (2S,4S,8S)-4-ethyl-5-oxidanylidene-2,8-bis[(9-phenylfluoren-9-yl)amino]nonanedioate

Systemtic Name: ditert-butyl (2S,4S,8S)-4-ethyl-5-oxidanylidene-2,8-bis[(9-phenylfluoren-9-yl)amino]nonanedioate Openeye Name: ditert-butyl (2S,4S,8S)-4-ethyl-5-oxo-2,8-bis[(9-phenylfluoren-9-yl)amino]nonanedioate CAS Name: (2S,4S,8S)-4-ethyl-5-oxo-2,8-bis[(9-phenyl-9-fluorenyl)amino]nonanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S,4S,8S)-4-ethyl-5-oxo-2,8-bis[(9-phenylfluoren-9-yl)amino]nonanedioate Traditional Name: (2S,4S,8S)-4-ethyl-5-keto-2,8-bis[(9-phenylfluoren-9-yl)amino]azelaic acid ditert-butyl ester Formula: C57H60N2O5 MolecularWeight: 853.0967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C57H60N2O5/c1-8-38(37-50(53(62)64-55(5,6)7)59-57(40-25-13-10-14-26-40)47-33-21-17-29-43(47)44-30-18-22-34-48(44)57)51(60)36-35-49(52(61)63-54(2,3)4)58-56(39-23-11-9-12-24-39)45-31-19-15-27-41(45)42-28-16-20-32-46(42)56/h9-34,38,49-50,58-59H,8,35-37H2,1-7H3/t38-,49-,50-/m0/s1