(phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-fluoranyl-benzoate

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-fluoranyl-benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-fluoro-benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-fluorobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-fluorobenzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-fluoro-benzoic acid benzyl ester Formula: C28H22FN3O3 MolecularWeight: 467.490983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)F)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)F)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H22FN3O3/c29-20-12-15-23(25(16-20)28(34)35-17-18-6-2-1-3-7-18)22-8-4-5-9-24(22)27(33)32-21-13-10-19(11-14-21)26(30)31/h1-16H,17H2,(H3,30,31)(H,32,33)