methyl 2-[6-(cyclopropylmethoxycarbamoyl)-4-fluoranyl-5-[(4-iodanyl-2-methyl-phenyl)amino]benzimidazol-1-yl]ethanoate

Systemtic Name: methyl 2-[6-(cyclopropylmethoxycarbamoyl)-4-fluoranyl-5-[(4-iodanyl-2-methyl-phenyl)amino]benzimidazol-1-yl]ethanoate Openeye Name: methyl 2-[6-(cyclopropylmethoxycarbamoyl)-4-fluoro-5-(4-iodo-2-methyl-anilino)benzimidazol-1-yl]acetate CAS Name: 2-[6-[(cyclopropylmethoxyamino)-oxomethyl]-4-fluoro-5-(4-iodo-2-methylanilino)-1-benzimidazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[6-(cyclopropylmethoxycarbamoyl)-4-fluoro-5-(4-iodo-2-methylanilino)benzimidazol-1-yl]acetate Traditional Name: 2-[6-(cyclopropylmethoxycarbamoyl)-4-fluoro-5-(4-iodo-2-methyl-anilino)benzimidazol-1-yl]acetic acid methyl ester Formula: C22H22FIN4O4 MolecularWeight: 552.337353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C3=C(C=C2C(=O)NOCC4CC4)N(C=N3)CC(=O)OC)F

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C3=C(C=C2C(=O)NOCC4CC4)N(C=N3)CC(=O)OC)F

InChI

InChI=1S/C22H22FIN4O4/c1-12-7-14(24)5-6-16(12)26-20-15(22(30)27-32-10-13-3-4-13)8-17-21(19(20)23)25-11-28(17)9-18(29)31-2/h5-8,11,13,26H,3-4,9-10H2,1-2H3,(H,27,30)