2-azanyl-3-(4-fluoranyl-1H-indol-3-yl)propanoic acid; 2-azanyl-3-(6-fluoranyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-azanyl-3-(4-fluoranyl-1H-indol-3-yl)propanoic acid; 2-azanyl-3-(6-fluoranyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid; 2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid CAS Name: 2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid; 2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid IUPAC Name: 2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid; 2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid Traditional Name: 2-amino-3-(4-fluoro-1H-indol-3-yl)propionic acid; 2-amino-3-(6-fluoro-1H-indol-3-yl)propionic acid Formula: C22H22F2N4O4 MolecularWeight: 444.431286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)F)C(=CN2)CC(C(=O)O)N.C1=CC2=C(C=C1F)NC=C2CC(C(=O)O)N

Isomeric SMILES

C1=CC2=C(C(=C1)F)C(=CN2)CC(C(=O)O)N.C1=CC2=C(C=C1F)NC=C2CC(C(=O)O)N

InChI

InChI=1S/2C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7;12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16);1-3,5,8,14H,4,13H2,(H,15,16)