(phenylmethyl) 2-[2-[(4-carbamimidoyl-3-phenylmethoxy-phenyl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoyl-3-phenylmethoxy-phenyl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: benzyl 2-[2-[(3-benzyloxy-4-carbamimidoyl-phenyl)carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoate CAS Name: 2-[2-[(4-carbamimidoyl-3-phenylmethoxyanilino)-oxomethyl]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoyl-3-phenylmethoxyphenyl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-[2-[(4-amidino-3-benzoxy-phenyl)carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid benzyl ester Formula: C40H38N4O5 MolecularWeight: 654.75352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)C(=N)N)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)C(=N)N)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C40H38N4O5/c1-26(2)23-43-38(45)29-17-19-32(35(21-29)40(47)49-25-28-13-7-4-8-14-28)31-15-9-10-16-33(31)39(46)44-30-18-20-34(37(41)42)36(22-30)48-24-27-11-5-3-6-12-27/h3-22,26H,23-25H2,1-2H3,(H3,41,42)(H,43,45)(H,44,46)