(2S)-2-[ethanoyl(methyl)amino]-3-(4-methoxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[ethanoyl(methyl)amino]-3-(4-methoxyphenyl)propanoic acid Openeye Name: (2S)-2-[acetyl(methyl)amino]-3-(4-methoxyphenyl)propanoic acid CAS Name: (2S)-2-[acetyl(methyl)amino]-3-(4-methoxyphenyl)propanoic acid IUPAC Name: (2S)-2-[acetyl(methyl)amino]-3-(4-methoxyphenyl)propanoic acid Traditional Name: (2S)-2-[acetyl(methyl)amino]-3-(4-methoxyphenyl)propionic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-9(15)14(2)12(13(16)17)8-10-4-6-11(18-3)7-5-10/h4-7,12H,8H2,1-3H3,(H,16,17)/t12-/m0/s1