ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]azanium

Systemtic Name: ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]azanium Openeye Name: ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]-[2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl]ammonium CAS Name: ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl]ammonium IUPAC Name: ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium Traditional Name: ethyl-(3-fluoro-4-methoxy-benzyl)-[2-(4-isopropoxycarbonylanilino)-2-keto-ethyl]ammonium Formula: C22H28FN2O4+ MolecularWeight: 403.467123

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

InChI

InChI=1S/C22H27FN2O4/c1-5-25(13-16-6-11-20(28-4)19(23)12-16)14-21(26)24-18-9-7-17(8-10-18)22(27)29-15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,24,26)/p+1