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4-[9-[(4-carbamimidoylphenyl)carbonylamino]nonylcarbamoyl]benzoic acid

4-[9-[(4-carbamimidoylphenyl)carbonylamino]nonylcarbamoyl]benzoic acid

Systemtic Name:4-[9-[(4-carbamimidoylphenyl)carbonylamino]nonylcarbamoyl]benzoic acid
Openeye Name:4-[9-[(4-carbamimidoylbenzoyl)amino]nonylcarbamoyl]benzoic acid
CAS Name:4-[[9-[[(4-carbamimidoylphenyl)-oxomethyl]amino]nonylamino]-oxomethyl]benzoic acid
IUPAC Name:4-[9-[(4-carbamimidoylbenzoyl)amino]nonylcarbamoyl]benzoic acid
Traditional Name:4-[9-[(4-amidinobenzoyl)amino]nonylcarbamoyl]benzoic acid
Formula: C25H32N4O4
MolecularWeight: 452.54598
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)C(=O)NCCCCCCCCCNC(=O)C2=CC=C(C=C2)C(=O)O


Isomeric SMILES

C1=CC(=CC=C1C(=N)N)C(=O)NCCCCCCCCCNC(=O)C2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C25H32N4O4/c26-22(27)18-8-10-19(11-9-18)23(30)28-16-6-4-2-1-3-5-7-17-29-24(31)20-12-14-21(15-13-20)25(32)33/h8-15H,1-7,16-17H2,(H3,26,27)(H,28,30)(H,29,31)(H,32,33)


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