(2S)-2-benzamido-3-(3,4-dimethoxy-5-oxidanyl-phenyl)propanoate

Systemtic Name: (2S)-2-benzamido-3-(3,4-dimethoxy-5-oxidanyl-phenyl)propanoate Openeye Name: (2S)-2-benzamido-3-(3-hydroxy-4,5-dimethoxy-phenyl)propanoate CAS Name: (2S)-2-benzamido-3-(3-hydroxy-4,5-dimethoxyphenyl)propanoate IUPAC Name: (2S)-2-benzamido-3-(3-hydroxy-4,5-dimethoxyphenyl)propanoate Traditional Name: (2S)-2-benzamido-3-(3-hydroxy-4,5-dimethoxy-phenyl)propionate Formula: C18H18NO6- MolecularWeight: 344.33862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)O)CC(C(=O)[O-])NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)O)C[C@@H](C(=O)[O-])NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H19NO6/c1-24-15-10-11(9-14(20)16(15)25-2)8-13(18(22)23)19-17(21)12-6-4-3-5-7-12/h3-7,9-10,13,20H,8H2,1-2H3,(H,19,21)(H,22,23)/p-1/t13-/m0/s1