2-[[4-(cyanomethylamino)-2-fluoranyl-phenyl]carbonyl-ethyl-amino]-2-ethyl-pentanedioic acid

Systemtic Name: 2-[[4-(cyanomethylamino)-2-fluoranyl-phenyl]carbonyl-ethyl-amino]-2-ethyl-pentanedioic acid Openeye Name: 2-[[4-(cyanomethylamino)-2-fluoro-benzoyl]-ethyl-amino]-2-ethyl-pentanedioic acid CAS Name: 2-[[[4-(cyanomethylamino)-2-fluorophenyl]-oxomethyl]-ethylamino]-2-ethylpentanedioic acid IUPAC Name: 2-[[4-(cyanomethylamino)-2-fluorobenzoyl]-ethylamino]-2-ethylpentanedioic acid Traditional Name: 2-[[4-(cyanomethylamino)-2-fluoro-benzoyl]-ethyl-amino]-2-ethyl-glutaric acid Formula: C18H22FN3O5 MolecularWeight: 379.382783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)O)(C(=O)O)N(CC)C(=O)C1=C(C=C(C=C1)NCC#N)F

Isomeric SMILES

CCC(CCC(=O)O)(C(=O)O)N(CC)C(=O)C1=C(C=C(C=C1)NCC#N)F

InChI

InChI=1S/C18H22FN3O5/c1-3-18(17(26)27,8-7-15(23)24)22(4-2)16(25)13-6-5-12(11-14(13)19)21-10-9-20/h5-6,11,21H,3-4,7-8,10H2,1-2H3,(H,23,24)(H,26,27)