2-[(2S,3R)-3-phenylbutan-2-yl]oxycarbonylbenzoic acid

Systemtic Name: 2-[(2S,3R)-3-phenylbutan-2-yl]oxycarbonylbenzoic acid Openeye Name: 2-[(1S,2R)-1-methyl-2-phenyl-propoxy]carbonylbenzoic acid CAS Name: 2-[oxo-[(2S,3R)-3-phenylbutan-2-yl]oxymethyl]benzoic acid IUPAC Name: 2-[(2S,3R)-3-phenylbutan-2-yl]oxycarbonylbenzoic acid Traditional Name: 2-[(1S,2R)-1-methyl-2-phenyl-propoxy]carbonylbenzoic acid Formula: C18H18O4 MolecularWeight: 298.33312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(C)OC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[C@H](C)OC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H18O4/c1-12(14-8-4-3-5-9-14)13(2)22-18(21)16-11-7-6-10-15(16)17(19)20/h3-13H,1-2H3,(H,19,20)/t12-,13-/m0/s1