cyclohexyl 4-(N'-heptylcarbamimidoyl)benzoate hydrochloride

Systemtic Name: cyclohexyl 4-(N'-heptylcarbamimidoyl)benzoate hydrochloride Openeye Name: cyclohexyl 4-(N'-heptylcarbamimidoyl)benzoate hydrochloride CAS Name: 4-[amino(heptylimino)methyl]benzoic acid cyclohexyl ester hydrochloride IUPAC Name: cyclohexyl 4-(N'-heptylcarbamimidoyl)benzoate hydrochloride Traditional Name: 4-(N'-heptylamidino)benzoic acid cyclohexyl ester hydrochloride Formula: C21H33ClN2O2 MolecularWeight: 380.95192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN=C(C1=CC=C(C=C1)C(=O)OC2CCCCC2)N.Cl

Isomeric SMILES

CCCCCCCN=C(C1=CC=C(C=C1)C(=O)OC2CCCCC2)N.Cl

InChI

InChI=1S/C21H32N2O2.ClH/c1-2-3-4-5-9-16-23-20(22)17-12-14-18(15-13-17)21(24)25-19-10-7-6-8-11-19;/h12-15,19H,2-11,16H2,1H3,(H2,22,23);1H