(3S)-3-(2-ethanoyl-5-methyl-phenyl)-4-methyl-pentanoic acid

Systemtic Name: (3S)-3-(2-ethanoyl-5-methyl-phenyl)-4-methyl-pentanoic acid Openeye Name: (3S)-3-(2-acetyl-5-methyl-phenyl)-4-methyl-pentanoic acid CAS Name: (3S)-3-(2-acetyl-5-methylphenyl)-4-methylpentanoic acid IUPAC Name: (3S)-3-(2-acetyl-5-methylphenyl)-4-methylpentanoic acid Traditional Name: (3S)-3-(2-acetyl-5-methyl-phenyl)-4-methyl-valeric acid Formula: C15H20O3 MolecularWeight: 248.3175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C)C(CC(=O)O)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C)[C@@H](CC(=O)O)C(C)C

InChI

InChI=1S/C15H20O3/c1-9(2)13(8-15(17)18)14-7-10(3)5-6-12(14)11(4)16/h5-7,9,13H,8H2,1-4H3,(H,17,18)/t13-/m0/s1