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

Systemtic Name: 3-(4-fluoranylphenoxy)propyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 3-(4-fluorophenoxy)propyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid 3-(4-fluorophenoxy)propyl ester IUPAC Name: 3-(4-fluorophenoxy)propyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid 3-(4-fluorophenoxy)propyl ester Formula: C25H32FNO4 MolecularWeight: 429.524283

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32FNO4/c1-17(2)22(27-23(28)18-7-9-19(10-8-18)25(3,4)5)24(29)31-16-6-15-30-21-13-11-20(26)12-14-21/h7-14,17,22H,6,15-16H2,1-5H3,(H,27,28)/t22-/m0/s1