2-[[N-(4-cyanophenyl)-N'-cyclohexyl-carbamimidoyl]amino]propanoic acid

Systemtic Name: 2-[[N-(4-cyanophenyl)-N'-cyclohexyl-carbamimidoyl]amino]propanoic acid Openeye Name: 2-[[N-(4-cyanophenyl)-N'-cyclohexyl-carbamimidoyl]amino]propanoic acid CAS Name: 2-[[(4-cyanoanilino)-cyclohexyliminomethyl]amino]propanoic acid IUPAC Name: 2-[[N-(4-cyanophenyl)-N'-cyclohexylcarbamimidoyl]amino]propanoic acid Traditional Name: 2-[[N-(4-cyanophenyl)-N'-cyclohexyl-amidino]amino]propionic acid Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=NC1CCCCC1)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C(=O)O)NC(=NC1CCCCC1)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H22N4O2/c1-12(16(22)23)19-17(20-14-5-3-2-4-6-14)21-15-9-7-13(11-18)8-10-15/h7-10,12,14H,2-6H2,1H3,(H,22,23)(H2,19,20,21)