methyl (2S)-3-(4-hydroxyphenyl)-2-[2-(6-methyl-1-benzofuran-3-yl)ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[2-(6-methyl-1-benzofuran-3-yl)ethanoylamino]propanoate Openeye Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[2-(6-methylbenzofuran-3-yl)acetyl]amino]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[2-(6-methyl-3-benzofuranyl)-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[[2-(6-methylbenzofuran-3-yl)acetyl]amino]propionic acid methyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC(CC3=CC=C(C=C3)O)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)OC

InChI

InChI=1S/C21H21NO5/c1-13-3-8-17-15(12-27-19(17)9-13)11-20(24)22-18(21(25)26-2)10-14-4-6-16(23)7-5-14/h3-9,12,18,23H,10-11H2,1-2H3,(H,22,24)/t18-/m0/s1