methyl (2S)-2-[[(1S)-1-(4-fluorophenyl)but-3-enyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(1S)-1-(4-fluorophenyl)but-3-enyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(1S)-1-(4-fluorophenyl)but-3-enyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(1S)-1-(4-fluorophenyl)but-3-enyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(1S)-1-(4-fluorophenyl)but-3-enyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(1S)-1-(4-fluorophenyl)but-3-enyl]amino]-3-methyl-butyric acid methyl ester Formula: C16H22FNO2 MolecularWeight: 279.349783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22FNO2/c1-5-6-14(12-7-9-13(17)10-8-12)18-15(11(2)3)16(19)20-4/h5,7-11,14-15,18H,1,6H2,2-4H3/t14-,15-/m0/s1