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

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(oxan-4-ylmethylcarbamoyl)benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(tetrahydropyran-4-ylmethylcarbamoyl)benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(4-oxanylmethylamino)-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(oxan-4-ylmethylcarbamoyl)benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(tetrahydropyran-4-ylmethylcarbamoyl)benzoic acid benzyl ester Formula: C35H34N4O5 MolecularWeight: 590.66826

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNC(=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

C1COCCC1CNC(=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/C35H34N4O5/c36-32(37)25-10-13-27(14-11-25)39-34(41)30-9-5-4-8-28(30)29-15-12-26(33(40)38-21-23-16-18-43-19-17-23)20-31(29)35(42)44-22-24-6-2-1-3-7-24/h1-15,20,23H,16-19,21-22H2,(H3,36,37)(H,38,40)(H,39,41)