3-(5-fluoranyl-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-(5-fluoranyl-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid CAS Name: 3-(5-fluoro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(5-fluoro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(5-fluoro-1H-indol-3-yl)propionic acid Formula: C19H17FN2O4 MolecularWeight: 356.347683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=C2C=C(C=C3)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=C2C=C(C=C3)F)C(=O)O

InChI

InChI=1S/C19H17FN2O4/c20-14-6-7-16-15(9-14)13(10-21-16)8-17(18(23)24)22-19(25)26-11-12-4-2-1-3-5-12/h1-7,9-10,17,21H,8,11H2,(H,22,25)(H,23,24)