methyl (2S)-2-[2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(6,7-dimethylbenzofuran-3-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(6,7-dimethyl-3-benzofuranyl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(6,7-dimethylbenzofuran-3-yl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NC(CC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C22H23NO4/c1-14-9-10-18-17(13-27-21(18)15(14)2)12-20(24)23-19(22(25)26-3)11-16-7-5-4-6-8-16/h4-10,13,19H,11-12H2,1-3H3,(H,23,24)/t19-/m0/s1