O1-butyl O4-(phenylmethyl) (3R)-2-[(E)-4-bromanylbut-2-enoxy]-3-(2-methylpropyl)butanedioate

Systemtic Name: O1-butyl O4-(phenylmethyl) (3R)-2-[(E)-4-bromanylbut-2-enoxy]-3-(2-methylpropyl)butanedioate Openeye Name: O1-benzyl O4-butyl (2R)-3-[(E)-4-bromobut-2-enoxy]-2-isobutyl-butanedioate CAS Name: (3R)-2-[(E)-4-bromobut-2-enoxy]-3-(2-methylpropyl)butanedioic acid O1-butyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-butyl (3R)-2-[(E)-4-bromobut-2-enoxy]-3-(2-methylpropyl)butanedioate Traditional Name: (2R)-3-[(E)-4-bromobut-2-enoxy]-2-isobutyl-succinic acid O1-benzyl ester O4-butyl ester Formula: C23H33BrO5 MolecularWeight: 469.40912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C(CC(C)C)C(=O)OCC1=CC=CC=C1)OCC=CCBr

Isomeric SMILES

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

InChI

InChI=1S/C23H33BrO5/c1-4-5-14-28-23(26)21(27-15-10-9-13-24)20(16-18(2)3)22(25)29-17-19-11-7-6-8-12-19/h6-12,18,20-21H,4-5,13-17H2,1-3H3/b10-9+/t20-,21?/m1/s1