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

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(cyclohexylmethylcarbamoyl)benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(cyclohexylmethylcarbamoyl)benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(cyclohexylmethylamino)-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(cyclohexylmethylcarbamoyl)benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(cyclohexylmethylcarbamoyl)benzoic acid benzyl ester Formula: C36H36N4O4 MolecularWeight: 588.69544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C36H36N4O4/c37-33(38)26-15-18-28(19-16-26)40-35(42)31-14-8-7-13-29(31)30-20-17-27(34(41)39-22-24-9-3-1-4-10-24)21-32(30)36(43)44-23-25-11-5-2-6-12-25/h2,5-8,11-21,24H,1,3-4,9-10,22-23H2,(H3,37,38)(H,39,41)(H,40,42)