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

Systemtic Name: (phenylmethyl) 2-[(4-carbamimidoylphenyl)carbamoyl]-5-phenyl-benzoate Openeye Name: benzyl 2-[(4-carbamimidoylphenyl)carbamoyl]-5-phenyl-benzoate CAS Name: 2-[(4-carbamimidoylanilino)-oxomethyl]-5-phenylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-carbamimidoylphenyl)carbamoyl]-5-phenylbenzoate Traditional Name: 2-[(4-amidinophenyl)carbamoyl]-5-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=C(C=CC(=C2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

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

InChI

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