azanyl 3-[3-[5-(4-carbamimidoylphenyl)pentanoyl]-2-chloranyl-6-fluoranyl-phenyl]propanoate

Systemtic Name: azanyl 3-[3-[5-(4-carbamimidoylphenyl)pentanoyl]-2-chloranyl-6-fluoranyl-phenyl]propanoate Openeye Name: amino 3-[3-[5-(4-carbamimidoylphenyl)pentanoyl]-2-chloro-6-fluoro-phenyl]propanoate CAS Name: 3-[3-[5-(4-carbamimidoylphenyl)-1-oxopentyl]-2-chloro-6-fluorophenyl]propanoic acid amino ester IUPAC Name: amino 3-[3-[5-(4-carbamimidoylphenyl)pentanoyl]-2-chloro-6-fluorophenyl]propanoate Traditional Name: 3-[3-[5-(4-amidinophenyl)pentanoyl]-2-chloro-6-fluoro-phenyl]propionic acid amino ester Formula: C21H23ClFN3O3 MolecularWeight: 419.877023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCC(=O)C2=C(C(=C(C=C2)F)CCC(=O)ON)Cl)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCCCC(=O)C2=C(C(=C(C=C2)F)CCC(=O)ON)Cl)C(=N)N

InChI

InChI=1S/C21H23ClFN3O3/c22-20-15(10-12-19(28)29-26)17(23)11-9-16(20)18(27)4-2-1-3-13-5-7-14(8-6-13)21(24)25/h5-9,11H,1-4,10,12,26H2,(H3,24,25)