3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphenyl)amino]phenol; ethanoic acid

Systemtic Name: 3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphenyl)amino]phenol; ethanoic acid Openeye Name: acetic acid; 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-anilino]phenol CAS Name: acetic acid; 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol IUPAC Name: acetic acid; 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol Traditional Name: acetic acid; 3-[N-(2-imidazolin-2-ylmethyl)-4-methyl-anilino]phenol Formula: C19H23N3O3 MolecularWeight: 341.40422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O.CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O.CC(=O)O

InChI

InChI=1S/C17H19N3O.C2H4O2/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;1-2(3)4/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H3,(H,3,4)