[3-carbamimidoyl-6-oxidanylidene-6-[2-(phenylcarbonyl)phenoxy]hexyl]carbamoyl benzoate

Systemtic Name: [3-carbamimidoyl-6-oxidanylidene-6-[2-(phenylcarbonyl)phenoxy]hexyl]carbamoyl benzoate Openeye Name: [6-(2-benzoylphenoxy)-3-carbamimidoyl-6-oxo-hexyl]carbamoyl benzoate CAS Name: benzoic acid [[[6-(2-benzoylphenoxy)-3-carbamimidoyl-6-oxohexyl]amino]-oxomethyl] ester IUPAC Name: [6-(2-benzoylphenoxy)-3-carbamimidoyl-6-oxohexyl]carbamoyl benzoate Traditional Name: benzoic acid [3-amidino-6-(2-benzoylphenoxy)-6-keto-hexyl]carbamoyl ester Formula: C28H27N3O6 MolecularWeight: 501.53048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2OC(=O)CCC(CCNC(=O)OC(=O)C3=CC=CC=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2OC(=O)CCC(CCNC(=O)OC(=O)C3=CC=CC=C3)C(=N)N

InChI

InChI=1S/C28H27N3O6/c29-26(30)20(17-18-31-28(35)37-27(34)21-11-5-2-6-12-21)15-16-24(32)36-23-14-8-7-13-22(23)25(33)19-9-3-1-4-10-19/h1-14,20H,15-18H2,(H3,29,30)(H,31,35)