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3-(3-carbamimidoylphenyl)-5-[(cyclohexylmethylamino)methyl]benzoic acid
3-(3-carbamimidoylphenyl)-5-[(cyclohexylmethylamino)methyl]benzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1CCC(CC1)CNCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N
Isomeric SMILES
C1CCC(CC1)CNCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N
InChI
InChI=1S/C22H27N3O2/c23-21(24)18-8-4-7-17(11-18)19-9-16(10-20(12-19)22(26)27)14-25-13-15-5-2-1-3-6-15/h4,7-12,15,25H,1-3,5-6,13-14H2,(H3,23,24)(H,26,27)
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