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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butyric acid (3-fluoro-4-methoxy-benzyl) ester Formula: C22H26FNO5 MolecularWeight: 403.443943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C22H26FNO5/c1-5-28-17-9-7-16(8-10-17)21(25)24-20(14(2)3)22(26)29-13-15-6-11-19(27-4)18(23)12-15/h6-12,14,20H,5,13H2,1-4H3,(H,24,25)/t20-/m0/s1