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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFN3O3/c22-17-5-3-6-18(23)16(17)12-13-20(28)29-26-19(27)7-2-1-4-14-8-10-15(11-9-14)21(24)25/h3,5-6,8-11H,1-2,4,7,12-13H2,(H3,24,25)(H,26,27)