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

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(cyclobutylmethylcarbamoyl)benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(cyclobutylmethylcarbamoyl)benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(cyclobutylmethylamino)-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(cyclobutylmethylcarbamoyl)benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(cyclobutylmethylcarbamoyl)benzoic acid benzyl ester Formula: C34H32N4O4 MolecularWeight: 560.64228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)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

C1CC(C1)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/C34H32N4O4/c35-31(36)24-13-16-26(17-14-24)38-33(40)29-12-5-4-11-27(29)28-18-15-25(32(39)37-20-22-9-6-10-22)19-30(28)34(41)42-21-23-7-2-1-3-8-23/h1-5,7-8,11-19,22H,6,9-10,20-21H2,(H3,35,36)(H,37,39)(H,38,40)