(2S)-2-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-[(3,4-dimethoxyphenyl)methyl]-4-oxo-pentanoic acid CAS Name: (2S)-2-[(3,4-dimethoxyphenyl)methyl]-4-oxopentanoic acid IUPAC Name: (2S)-2-[(3,4-dimethoxyphenyl)methyl]-4-oxopentanoic acid Traditional Name: (2S)-4-keto-2-veratryl-valeric acid Formula: C14H18O5 MolecularWeight: 266.28972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O5/c1-9(15)6-11(14(16)17)7-10-4-5-12(18-2)13(8-10)19-3/h4-5,8,11H,6-7H2,1-3H3,(H,16,17)/t11-/m1/s1