(3-methyl-4-propan-2-yl-phenyl) (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-isopropyl-3-methyl-phenyl) (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid (4-isopropyl-3-methyl-phenyl) ester Formula: C22H26FNO3 MolecularWeight: 371.445143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2F)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2F)C(C)C

InChI

InChI=1S/C22H26FNO3/c1-13(2)17-11-10-16(12-15(17)5)27-22(26)20(14(3)4)24-21(25)18-8-6-7-9-19(18)23/h6-14,20H,1-5H3,(H,24,25)/t20-/m0/s1