(3-fluoranyl-4-methoxy-phenyl)methyl (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid (3-fluoro-4-methoxy-benzyl) ester Formula: C20H21F2NO4 MolecularWeight: 377.381846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=C(C=C1)OC)F)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC(=C(C=C1)OC)F)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C20H21F2NO4/c1-12(2)18(23-19(24)14-6-4-5-7-15(14)21)20(25)27-11-13-8-9-17(26-3)16(22)10-13/h4-10,12,18H,11H2,1-3H3,(H,23,24)/t18-/m0/s1