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

Systemtic Name: (phenylmethyl) 4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Openeye Name: benzyl 4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate CAS Name: 4-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Traditional Name: 4-[2-[(4-amidinophenyl)carbamoyl]phenyl]benzoic acid benzyl ester Formula: C28H23N3O3 MolecularWeight: 449.50052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23N3O3/c29-26(30)21-14-16-23(17-15-21)31-27(32)25-9-5-4-8-24(25)20-10-12-22(13-11-20)28(33)34-18-19-6-2-1-3-7-19/h1-17H,18H2,(H3,29,30)(H,31,32)