methyl (2S)-2-[(7-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[(7-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[(7-fluoro-3-methyl-benzofuran-2-carbonyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(7-fluoro-3-methyl-2-benzofuranyl)-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(7-fluoro-3-methyl-benzofuran-2-carbonyl)amino]-4-methyl-valeric acid methyl ester Formula: C17H20FNO4 MolecularWeight: 321.343403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2F)C(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2F)C(=O)N[C@@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C17H20FNO4/c1-9(2)8-13(17(21)22-4)19-16(20)14-10(3)11-6-5-7-12(18)15(11)23-14/h5-7,9,13H,8H2,1-4H3,(H,19,20)/t13-/m0/s1