(2S)-4-oxidanylidene-4-phenylmethoxy-2-propan-2-yl-butanoic acid

Systemtic Name: (2S)-4-oxidanylidene-4-phenylmethoxy-2-propan-2-yl-butanoic acid Openeye Name: (2S)-4-benzyloxy-2-isopropyl-4-oxo-butanoic acid CAS Name: (2S)-4-oxo-4-phenylmethoxy-2-propan-2-ylbutanoic acid IUPAC Name: (2S)-4-oxo-4-phenylmethoxy-2-propan-2-ylbutanoic acid Traditional Name: (2S)-4-benzoxy-2-isopropyl-4-keto-butyric acid Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4/c1-10(2)12(14(16)17)8-13(15)18-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,17)/t12-/m0/s1