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methyl 3-(3-carbamimidoylphenyl)-5-[(cyclohexylmethylamino)methyl]benzoate
methyl 3-(3-carbamimidoylphenyl)-5-[(cyclohexylmethylamino)methyl]benzoate
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Descriptors Computed from Structure
Canonical SMILES:
COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNCC3CCCCC3
Isomeric SMILES
COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNCC3CCCCC3
InChI
InChI=1S/C23H29N3O2/c1-28-23(27)21-11-17(15-26-14-16-6-3-2-4-7-16)10-20(13-21)18-8-5-9-19(12-18)22(24)25/h5,8-13,16,26H,2-4,6-7,14-15H2,1H3,(H3,24,25)
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