ethyl 3-[[(E)-N'-[1-(4-chloranylphenoxy)hexyl]carbamimidoyl]-cyano-amino]benzoate

Systemtic Name: ethyl 3-[[(E)-N'-[1-(4-chloranylphenoxy)hexyl]carbamimidoyl]-cyano-amino]benzoate Openeye Name: ethyl 3-[[(E)-N'-[1-(4-chlorophenoxy)hexyl]carbamimidoyl]-cyano-amino]benzoate CAS Name: 3-[[(E)-amino-[1-(4-chlorophenoxy)hexylimino]methyl]-cyanoamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(E)-N'-[1-(4-chlorophenoxy)hexyl]carbamimidoyl]-cyanoamino]benzoate Traditional Name: 3-[[(E)-N'-[1-(4-chlorophenoxy)hexyl]amidino]-cyano-amino]benzoic acid ethyl ester Formula: C23H27ClN4O3 MolecularWeight: 442.93848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(N=C(N)N(C#N)C1=CC=CC(=C1)C(=O)OCC)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCC(/N=C(\N)/N(C#N)C1=CC=CC(=C1)C(=O)OCC)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C23H27ClN4O3/c1-3-5-6-10-21(31-20-13-11-18(24)12-14-20)27-23(26)28(16-25)19-9-7-8-17(15-19)22(29)30-4-2/h7-9,11-15,21H,3-6,10H2,1-2H3,(H2,26,27)