[3-(3-carbamimidoylphenoxy)-2-[(4-carbamimidoylphenyl)carbonylamino]propyl] benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(COC2=CC=CC(=C2)C(=N)N)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(COC2=CC=CC(=C2)C(=N)N)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

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