(phenylmethyl) 4-(N'-cyclohexylcarbamimidoyl)benzoate hydrochloride

Systemtic Name: (phenylmethyl) 4-(N'-cyclohexylcarbamimidoyl)benzoate hydrochloride Openeye Name: benzyl 4-(N'-cyclohexylcarbamimidoyl)benzoate hydrochloride CAS Name: 4-[amino(cyclohexylimino)methyl]benzoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 4-(N'-cyclohexylcarbamimidoyl)benzoate hydrochloride Traditional Name: 4-(N'-cyclohexylamidino)benzoic acid benzyl ester hydrochloride Formula: C21H25ClN2O2 MolecularWeight: 372.8884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C(C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)N.Cl

Isomeric SMILES

C1CCC(CC1)N=C(C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)N.Cl

InChI

InChI=1S/C21H24N2O2.ClH/c22-20(23-19-9-5-2-6-10-19)17-11-13-18(14-12-17)21(24)25-15-16-7-3-1-4-8-16;/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2,(H2,22,23);1H