3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzenecarbonitrile; ethanoic acid

Systemtic Name: 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzenecarbonitrile; ethanoic acid Openeye Name: acetic acid; 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile CAS Name: acetic acid; 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile IUPAC Name: acetic acid; 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile Traditional Name: acetic acid; 3-[2-(4-hydroxyphenyl)-2-(2-imidazolin-2-ylamino)ethyl]benzonitrile Formula: C20H22N4O3 MolecularWeight: 366.41368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CN=C(N1)NC(CC2=CC=CC(=C2)C#N)C3=CC=C(C=C3)O

Isomeric SMILES

CC(=O)O.C1CN=C(N1)NC(CC2=CC=CC(=C2)C#N)C3=CC=C(C=C3)O

InChI

InChI=1S/C18H18N4O.C2H4O2/c19-12-14-3-1-2-13(10-14)11-17(22-18-20-8-9-21-18)15-4-6-16(23)7-5-15;1-2(3)4/h1-7,10,17,23H,8-9,11H2,(H2,20,21,22);1H3,(H,3,4)