[1-(3-carbamimidoylphenoxy)-3-[(4-carbamimidoylphenyl)carbonylamino]propan-2-yl] benzoate

Systemtic Name: [1-(3-carbamimidoylphenoxy)-3-[(4-carbamimidoylphenyl)carbonylamino]propan-2-yl] benzoate Openeye Name: [1-[[(4-carbamimidoylbenzoyl)amino]methyl]-2-(3-carbamimidoylphenoxy)ethyl] benzoate CAS Name: benzoic acid [1-(3-carbamimidoylphenoxy)-3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]propan-2-yl] ester IUPAC Name: [1-[(4-carbamimidoylbenzoyl)amino]-3-(3-carbamimidoylphenoxy)propan-2-yl] benzoate Traditional Name: benzoic acid [1-[[(4-amidinobenzoyl)amino]methyl]-2-(3-amidinophenoxy)ethyl] ester Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(CNC(=O)C2=CC=C(C=C2)C(=N)N)COC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(CNC(=O)C2=CC=C(C=C2)C(=N)N)COC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C25H25N5O4/c26-22(27)16-9-11-17(12-10-16)24(31)30-14-21(34-25(32)18-5-2-1-3-6-18)15-33-20-8-4-7-19(13-20)23(28)29/h1-13,21H,14-15H2,(H3,26,27)(H3,28,29)(H,30,31)