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

Systemtic Name: azanyl 3-[3-[5-(4-carbamimidoylphenyl)pentanoyl]-2-fluoranyl-phenyl]propanoate Openeye Name: amino 3-[3-[5-(4-carbamimidoylphenyl)pentanoyl]-2-fluoro-phenyl]propanoate CAS Name: 3-[3-[5-(4-carbamimidoylphenyl)-1-oxopentyl]-2-fluorophenyl]propanoic acid amino ester IUPAC Name: amino 3-[3-[5-(4-carbamimidoylphenyl)pentanoyl]-2-fluorophenyl]propanoate Traditional Name: 3-[3-[5-(4-amidinophenyl)pentanoyl]-2-fluoro-phenyl]propionic acid amino ester Formula: C21H24FN3O3 MolecularWeight: 385.431963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CCC(=O)ON)F)C(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC(=C(C(=C1)CCC(=O)ON)F)C(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H24FN3O3/c22-20-15(12-13-19(27)28-25)5-3-6-17(20)18(26)7-2-1-4-14-8-10-16(11-9-14)21(23)24/h3,5-6,8-11H,1-2,4,7,12-13,25H2,(H3,23,24)