ditert-butyl (2S,5Z,7S)-4-oxidanylidene-5-phenylmethoxyimino-2,7-di(propan-2-yl)octanedioate

Systemtic Name: ditert-butyl (2S,5Z,7S)-4-oxidanylidene-5-phenylmethoxyimino-2,7-di(propan-2-yl)octanedioate Openeye Name: ditert-butyl (2S,4Z,7S)-4-benzyloxyimino-2,7-diisopropyl-5-oxo-octanedioate CAS Name: (2S,5Z,7S)-4-oxo-5-phenylmethoxyimino-2,7-di(propan-2-yl)octanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S,5Z,7S)-4-oxo-5-phenylmethoxyimino-2,7-di(propan-2-yl)octanedioate Traditional Name: (2S,4Z,7S)-4-benzyloximino-2,7-diisopropyl-5-keto-suberic acid ditert-butyl ester Formula: C29H45NO6 MolecularWeight: 503.6707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=NOCC1=CC=CC=C1)C(=O)CC(C(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@H](C/C(=N/OCC1=CC=CC=C1)/C(=O)C[C@@H](C(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H45NO6/c1-19(2)22(26(32)35-28(5,6)7)16-24(30-34-18-21-14-12-11-13-15-21)25(31)17-23(20(3)4)27(33)36-29(8,9)10/h11-15,19-20,22-23H,16-18H2,1-10H3/b30-24-/t22-,23-/m0/s1