N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(7-fluoranyl-3-oxidanylidene-1H-isoindol-2-yl)ethanamide; ethanoic acid

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(7-fluoranyl-3-oxidanylidene-1H-isoindol-2-yl)ethanamide; ethanoic acid Openeye Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(4-fluoro-1-oxo-isoindolin-2-yl)acetamide CAS Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(7-fluoro-3-oxo-1H-isoindol-2-yl)acetamide IUPAC Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(7-fluoro-3-oxo-1H-isoindol-2-yl)acetamide Traditional Name: acetic acid; N-(4-amidinobenzyl)-2-ethoxy-2-(4-fluoro-1-keto-isoindolin-2-yl)acetamide Formula: C22H25FN4O5 MolecularWeight: 444.456103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)NCC1=CC=C(C=C1)C(=N)N)N2CC3=C(C2=O)C=CC=C3F.CC(=O)O

Isomeric SMILES

CCOC(C(=O)NCC1=CC=C(C=C1)C(=N)N)N2CC3=C(C2=O)C=CC=C3F.CC(=O)O

InChI

InChI=1S/C20H21FN4O3.C2H4O2/c1-2-28-20(25-11-15-14(19(25)27)4-3-5-16(15)21)18(26)24-10-12-6-8-13(9-7-12)17(22)23;1-2(3)4/h3-9,20H,2,10-11H2,1H3,(H3,22,23)(H,24,26);1H3,(H,3,4)