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

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(cyclopropylmethylcarbamoyl)benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(cyclopropylmethylcarbamoyl)benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(cyclopropylmethylamino)-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(cyclopropylmethylcarbamoyl)benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(cyclopropylmethylcarbamoyl)benzoic acid benzyl ester Formula: C33H30N4O4 MolecularWeight: 546.6157

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC(=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

C1CC1CNC(=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/C33H30N4O4/c34-30(35)23-12-15-25(16-13-23)37-32(39)28-9-5-4-8-26(28)27-17-14-24(31(38)36-19-21-10-11-21)18-29(27)33(40)41-20-22-6-2-1-3-7-22/h1-9,12-18,21H,10-11,19-20H2,(H3,34,35)(H,36,38)(H,37,39)