(phenylmethyl) 3-carbamimidoyl-4-[1-methyl-2-[3-oxidanylidene-3-(phenylcarbonyloxymethoxy)propyl]imidazol-4-yl]benzoate

Systemtic Name: (phenylmethyl) 3-carbamimidoyl-4-[1-methyl-2-[3-oxidanylidene-3-(phenylcarbonyloxymethoxy)propyl]imidazol-4-yl]benzoate Openeye Name: benzyl 4-[2-[3-(benzoyloxymethoxy)-3-oxo-propyl]-1-methyl-imidazol-4-yl]-3-carbamimidoyl-benzoate CAS Name: 4-[2-[3-(benzoyloxymethoxy)-3-oxopropyl]-1-methyl-4-imidazolyl]-3-carbamimidoylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-[3-(benzoyloxymethoxy)-3-oxopropyl]-1-methylimidazol-4-yl]-3-carbamimidoylbenzoate Traditional Name: 3-amidino-4-[2-[3-(benzoyloxymethoxy)-3-keto-propyl]-1-methyl-imidazol-4-yl]benzoic acid benzyl ester Formula: C30H28N4O6 MolecularWeight: 540.56652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1CCC(=O)OCOC(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N

Isomeric SMILES

CN1C=C(N=C1CCC(=O)OCOC(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C30H28N4O6/c1-34-17-25(33-26(34)14-15-27(35)39-19-40-29(36)21-10-6-3-7-11-21)23-13-12-22(16-24(23)28(31)32)30(37)38-18-20-8-4-2-5-9-20/h2-13,16-17H,14-15,18-19H2,1H3,(H3,31,32)