O1-tert-butyl O4-(phenylmethyl) (2S,3R)-3-(2-methylpropyl)-2-(3-oxidanylpropyl)butanedioate

Systemtic Name: O1-tert-butyl O4-(phenylmethyl) (2S,3R)-3-(2-methylpropyl)-2-(3-oxidanylpropyl)butanedioate Openeye Name: O1-benzyl O4-tert-butyl (2R,3S)-3-(3-hydroxypropyl)-2-isobutyl-butanedioate CAS Name: (2S,3R)-2-(3-hydroxypropyl)-3-(2-methylpropyl)butanedioic acid O1-tert-butyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-tert-butyl (2S,3R)-2-(3-hydroxypropyl)-3-(2-methylpropyl)butanedioate Traditional Name: (2R,3S)-3-(3-hydroxypropyl)-2-isobutyl-succinic acid O1-benzyl ester O4-tert-butyl ester Formula: C22H34O5 MolecularWeight: 378.50236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O5/c1-16(2)14-19(20(24)26-15-17-10-7-6-8-11-17)18(12-9-13-23)21(25)27-22(3,4)5/h6-8,10-11,16,18-19,23H,9,12-15H2,1-5H3/t18-,19+/m0/s1