4-[[2-[(2S)-butan-2-yl]phenoxy]methyl]benzoate

Systemtic Name: 4-[[2-[(2S)-butan-2-yl]phenoxy]methyl]benzoate Openeye Name: 4-[[2-[(1S)-1-methylpropyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[(2S)-butan-2-yl]phenoxy]methyl]benzoate IUPAC Name: 4-[[2-[(2S)-butan-2-yl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[(1S)-1-methylpropyl]phenoxy]methyl]benzoate Formula: C18H19O3- MolecularWeight: 283.34166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C18H20O3/c1-3-13(2)16-6-4-5-7-17(16)21-12-14-8-10-15(11-9-14)18(19)20/h4-11,13H,3,12H2,1-2H3,(H,19,20)/p-1/t13-/m0/s1