methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[2-(2-methylphenoxy)ethanoylamino]propanoate

Systemtic Name: methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[2-(2-methylphenoxy)ethanoylamino]propanoate Openeye Name: methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(2-methylphenoxy)acetyl]amino]propanoate CAS Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(2-methylphenoxy)-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(2-methylphenoxy)acetyl]amino]propanoate Traditional Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(2-methylphenoxy)acetyl]amino]propionic acid methyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC(CC(=O)OC)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)N[C@@H](CC(=O)OC)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H25NO6/c1-14-7-5-6-8-17(14)28-13-20(23)22-16(12-21(24)27-4)15-9-10-18(25-2)19(11-15)26-3/h5-11,16H,12-13H2,1-4H3,(H,22,23)/t16-/m0/s1