(2S)-2-azanyl-4-[3,5-bis(trifluoromethyl)phenyl]pent-4-enoic acid

Systemtic Name: (2S)-2-azanyl-4-[3,5-bis(trifluoromethyl)phenyl]pent-4-enoic acid Openeye Name: (2S)-2-amino-4-[3,5-bis(trifluoromethyl)phenyl]pent-4-enoic acid CAS Name: (2S)-2-amino-4-[3,5-bis(trifluoromethyl)phenyl]-4-pentenoic acid IUPAC Name: (2S)-2-amino-4-[3,5-bis(trifluoromethyl)phenyl]pent-4-enoic acid Traditional Name: (2S)-2-amino-4-[3,5-bis(trifluoromethyl)phenyl]pent-4-enoic acid Formula: C13H11F6NO2 MolecularWeight: 327.222359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(CC(C(=O)O)N)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C13H11F6NO2/c1-6(2-10(20)11(21)22)7-3-8(12(14,15)16)5-9(4-7)13(17,18)19/h3-5,10H,1-2,20H2,(H,21,22)/t10-/m0/s1