methyl (2S)-2-[2-(6-methoxy-1-benzofuran-3-yl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(6-methoxy-1-benzofuran-3-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(6-methoxybenzofuran-3-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(6-methoxy-3-benzofuranyl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(6-methoxybenzofuran-3-yl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CO2)CC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CO2)CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

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