(phenylmethyl) 2-[3-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate

Systemtic Name: (phenylmethyl) 2-[3-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Openeye Name: benzyl 2-[3-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate CAS Name: 2-[3-[(4-carbamimidoylanilino)-oxomethyl]phenyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Traditional Name: 2-[3-[(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=CC=C2C3=CC(=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C3=CC(=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N

InChI

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