(2S,3R)-2-[(4-methoxyphenyl)methyl]-3-methyl-butanedioic acid

Systemtic Name: (2S,3R)-2-[(4-methoxyphenyl)methyl]-3-methyl-butanedioic acid Openeye Name: (2S,3R)-2-[(4-methoxyphenyl)methyl]-3-methyl-butanedioic acid CAS Name: (2S,3R)-2-[(4-methoxyphenyl)methyl]-3-methylbutanedioic acid IUPAC Name: (2S,3R)-2-[(4-methoxyphenyl)methyl]-3-methylbutanedioic acid Traditional Name: (2R,3S)-2-methyl-3-p-anisyl-succinic acid Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O5/c1-8(12(14)15)11(13(16)17)7-9-3-5-10(18-2)6-4-9/h3-6,8,11H,7H2,1-2H3,(H,14,15)(H,16,17)/t8-,11+/m1/s1