O4-tert-butyl O1-(phenylmethyl) (2R)-2-(3-bromanylpropyl)-2-(2-methylpropyl)butanedioate

Systemtic Name: O4-tert-butyl O1-(phenylmethyl) (2R)-2-(3-bromanylpropyl)-2-(2-methylpropyl)butanedioate Openeye Name: O1-benzyl O4-tert-butyl (2R)-2-(3-bromopropyl)-2-isobutyl-butanedioate CAS Name: (2R)-2-(3-bromopropyl)-2-(2-methylpropyl)butanedioic acid O4-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-tert-butyl (2R)-2-(3-bromopropyl)-2-(2-methylpropyl)butanedioate Traditional Name: (2R)-2-(3-bromopropyl)-2-isobutyl-succinic acid O1-benzyl ester O4-tert-butyl ester Formula: C22H33BrO4 MolecularWeight: 441.39902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCCBr)(CC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@](CCCBr)(CC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C22H33BrO4/c1-17(2)14-22(12-9-13-23,15-19(24)27-21(3,4)5)20(25)26-16-18-10-7-6-8-11-18/h6-8,10-11,17H,9,12-16H2,1-5H3/t22-/m1/s1