methyl (2S)-2-[(5-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[(5-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-[(5-fluoro-3-methyl-benzofuran-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(5-fluoro-3-methyl-2-benzofuranyl)-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[(5-fluoro-3-methyl-benzofuran-2-carbonyl)amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C20H18FNO5 MolecularWeight: 371.359023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)OC

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)OC

InChI

InChI=1S/C20H18FNO5/c1-11-15-10-13(21)5-8-17(15)27-18(11)19(24)22-16(20(25)26-2)9-12-3-6-14(23)7-4-12/h3-8,10,16,23H,9H2,1-2H3,(H,22,24)/t16-/m0/s1