O1-tert-butyl O5-(phenylmethyl) (2E,4S)-4-phenyl-2-(phenylmethylidene)pentanedioate

Systemtic Name: O1-tert-butyl O5-(phenylmethyl) (2E,4S)-4-phenyl-2-(phenylmethylidene)pentanedioate Openeye Name: O1-benzyl O5-tert-butyl (2S,4E)-4-benzylidene-2-phenyl-pentanedioate CAS Name: (2E,4S)-4-phenyl-2-(phenylmethylene)pentanedioic acid O1-tert-butyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-tert-butyl (2E,4S)-2-benzylidene-4-phenylpentanedioate Traditional Name: (2S,4E)-4-benzal-2-phenyl-glutaric acid O1-benzyl ester O5-tert-butyl ester Formula: C29H30O4 MolecularWeight: 442.5461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=CC1=CC=CC=C1)CC(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)/C(=C/C1=CC=CC=C1)/C[C@@H](C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H30O4/c1-29(2,3)33-27(30)25(19-22-13-7-4-8-14-22)20-26(24-17-11-6-12-18-24)28(31)32-21-23-15-9-5-10-16-23/h4-19,26H,20-21H2,1-3H3/b25-19+/t26-/m0/s1