cyclohexyl 4-[[5-(4-carbamimidoylphenyl)-2-methoxy-phenyl]carbonylamino]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: cyclohexyl 4-[[5-(4-carbamimidoylphenyl)-2-methoxy-phenyl]carbonylamino]cyclohexane-1-carboxylate hydrochloride Openeye Name: cyclohexyl 4-[[5-(4-carbamimidoylphenyl)-2-methoxy-benzoyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[5-(4-carbamimidoylphenyl)-2-methoxyphenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid cyclohexyl ester hydrochloride IUPAC Name: cyclohexyl 4-[[5-(4-carbamimidoylphenyl)-2-methoxybenzoyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[5-(4-amidinophenyl)-2-methoxy-benzoyl]amino]cyclohexanecarboxylic acid cyclohexyl ester hydrochloride Formula: C28H36ClN3O4 MolecularWeight: 514.05614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=N)N)C(=O)NC3CCC(CC3)C(=O)OC4CCCCC4.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=N)N)C(=O)NC3CCC(CC3)C(=O)OC4CCCCC4.Cl

InChI

InChI=1S/C28H35N3O4.ClH/c1-34-25-16-13-21(18-7-9-19(10-8-18)26(29)30)17-24(25)27(32)31-22-14-11-20(12-15-22)28(33)35-23-5-3-2-4-6-23;/h7-10,13,16-17,20,22-23H,2-6,11-12,14-15H2,1H3,(H3,29,30)(H,31,32);1H