(2S)-3-methyl-2-[4-(4-methylphenyl)phenoxy]butanoate

Systemtic Name: (2S)-3-methyl-2-[4-(4-methylphenyl)phenoxy]butanoate Openeye Name: (2S)-3-methyl-2-[4-(p-tolyl)phenoxy]butanoate CAS Name: (2S)-3-methyl-2-[4-(4-methylphenyl)phenoxy]butanoate IUPAC Name: (2S)-3-methyl-2-[4-(4-methylphenyl)phenoxy]butanoate Traditional Name: (2S)-3-methyl-2-[4-(p-tolyl)phenoxy]butyrate Formula: C18H19O3- MolecularWeight: 283.34166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)OC(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)O[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C18H20O3/c1-12(2)17(18(19)20)21-16-10-8-15(9-11-16)14-6-4-13(3)5-7-14/h4-12,17H,1-3H3,(H,19,20)/p-1/t17-/m0/s1