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

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(cyclopentylmethylcarbamoyl)benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(cyclopentylmethylcarbamoyl)benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(cyclopentylmethylamino)-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(cyclopentylmethylcarbamoyl)benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(cyclopentylmethylcarbamoyl)benzoic acid benzyl ester Formula: C35H34N4O4 MolecularWeight: 574.66886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(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

C1CCC(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/C35H34N4O4/c36-32(37)25-14-17-27(18-15-25)39-34(41)30-13-7-6-12-28(30)29-19-16-26(33(40)38-21-23-8-4-5-9-23)20-31(29)35(42)43-22-24-10-2-1-3-11-24/h1-3,6-7,10-20,23H,4-5,8-9,21-22H2,(H3,36,37)(H,38,40)(H,39,41)