[11-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-11-oxidanylidene-undecyl] thiocyanate

Systemtic Name: [11-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-11-oxidanylidene-undecyl] thiocyanate Openeye Name: [11-[(4-hydroxy-3-methoxy-phenyl)methylamino]-11-oxo-undecyl] thiocyanate CAS Name: thiocyanic acid [11-[(4-hydroxy-3-methoxyphenyl)methylamino]-11-oxoundecyl] ester IUPAC Name: [11-[(4-hydroxy-3-methoxyphenyl)methylamino]-11-oxoundecyl] thiocyanate Traditional Name: thiocyanic acid [11-keto-11-(vanillylamino)undecyl] ester Formula: C20H30N2O3S MolecularWeight: 378.5288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)CCCCCCCCCCSC#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)CCCCCCCCCCSC#N)O

InChI

InChI=1S/C20H30N2O3S/c1-25-19-14-17(11-12-18(19)23)15-22-20(24)10-8-6-4-2-3-5-7-9-13-26-16-21/h11-12,14,23H,2-10,13,15H2,1H3,(H,22,24)