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

Systemtic Name: (phenylmethyl) 4-(N'-heptylcarbamimidoyl)benzoate hydrochloride Openeye Name: benzyl 4-(N'-heptylcarbamimidoyl)benzoate hydrochloride CAS Name: 4-[amino(heptylimino)methyl]benzoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 4-(N'-heptylcarbamimidoyl)benzoate hydrochloride Traditional Name: 4-(N'-heptylamidino)benzoic acid benzyl ester hydrochloride Formula: C22H29ClN2O2 MolecularWeight: 388.93086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN=C(C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)N.Cl

Isomeric SMILES

CCCCCCCN=C(C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)N.Cl

InChI

InChI=1S/C22H28N2O2.ClH/c1-2-3-4-5-9-16-24-21(23)19-12-14-20(15-13-19)22(25)26-17-18-10-7-6-8-11-18;/h6-8,10-15H,2-5,9,16-17H2,1H3,(H2,23,24);1H