(3S)-3-(4-methoxyphenyl)-4-methyl-pentanoate

Systemtic Name: (3S)-3-(4-methoxyphenyl)-4-methyl-pentanoate Openeye Name: (3S)-3-(4-methoxyphenyl)-4-methyl-pentanoate CAS Name: (3S)-3-(4-methoxyphenyl)-4-methylpentanoate IUPAC Name: (3S)-3-(4-methoxyphenyl)-4-methylpentanoate Traditional Name: (3S)-3-(4-methoxyphenyl)-4-methyl-valerate Formula: C13H17O3- MolecularWeight: 221.27228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)[O-])C1=CC=C(C=C1)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3/c1-9(2)12(8-13(14)15)10-4-6-11(16-3)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,14,15)/p-1/t12-/m0/s1