3-(4-fluoranylphenoxy)propyl (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: 3-(4-fluoranylphenoxy)propyl (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 3-(4-fluorophenoxy)propyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid 3-(4-fluorophenoxy)propyl ester IUPAC Name: 3-(4-fluorophenoxy)propyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid 3-(4-fluorophenoxy)propyl ester Formula: C22H26FNO5 MolecularWeight: 403.443943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCCOC1=CC=C(C=C1)F)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCCOC1=CC=C(C=C1)F)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H26FNO5/c1-15(2)20(24-21(25)16-5-9-18(27-3)10-6-16)22(26)29-14-4-13-28-19-11-7-17(23)8-12-19/h5-12,15,20H,4,13-14H2,1-3H3,(H,24,25)/t20-/m0/s1