(2S)-2-(3-fluoranyl-4-phenyl-phenyl)propanoic acid; (2S)-3-methyl-2-phenyl-butan-1-amine

Systemtic Name: (2S)-2-(3-fluoranyl-4-phenyl-phenyl)propanoic acid; (2S)-3-methyl-2-phenyl-butan-1-amine Openeye Name: (2S)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid; (2S)-3-methyl-2-phenyl-butan-1-amine CAS Name: (2S)-2-(3-fluoro-4-phenylphenyl)propanoic acid; (2S)-3-methyl-2-phenyl-1-butanamine IUPAC Name: (2S)-2-(3-fluoro-4-phenylphenyl)propanoic acid; (2S)-3-methyl-2-phenylbutan-1-amine Traditional Name: (2S)-2-(3-fluoro-4-phenyl-phenyl)propionic acid; [(2S)-3-methyl-2-phenyl-butyl]amine Formula: C26H30FNO2 MolecularWeight: 407.520303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN)C1=CC=CC=C1.CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O.CC(C)[C@H](CN)C1=CC=CC=C1

InChI

InChI=1S/C15H13FO2.C11H17N/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;1-9(2)11(8-12)10-6-4-3-5-7-10/h2-10H,1H3,(H,17,18);3-7,9,11H,8,12H2,1-2H3/t10-;11-/m00/s1