4,5-dihydroimidazol-1-amine; 2-oxidanylidene-2-[4-[(4-pentoxyphenyl)methyl]phenoxy]ethanoate

Systemtic Name: 4,5-dihydroimidazol-1-amine; 2-oxidanylidene-2-[4-[(4-pentoxyphenyl)methyl]phenoxy]ethanoate Openeye Name: 4,5-dihydroimidazol-1-amine; 2-oxo-2-[4-[(4-pentoxyphenyl)methyl]phenoxy]acetate CAS Name: 4,5-dihydroimidazol-1-amine; 2-oxo-2-[4-[(4-pentoxyphenyl)methyl]phenoxy]acetate IUPAC Name: 4,5-dihydroimidazol-1-amine; 2-oxo-2-[4-[(4-pentoxyphenyl)methyl]phenoxy]acetate Traditional Name: 2-[4-(4-amoxybenzyl)phenoxy]-2-keto-acetate; 2-imidazolin-1-ylamine Formula: C23H28N3O5- MolecularWeight: 426.48552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)CC2=CC=C(C=C2)OC(=O)C(=O)[O-].C1CN(C=N1)N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)CC2=CC=C(C=C2)OC(=O)C(=O)[O-].C1CN(C=N1)N

InChI

InChI=1S/C20H22O5.C3H7N3/c1-2-3-4-13-24-17-9-5-15(6-10-17)14-16-7-11-18(12-8-16)25-20(23)19(21)22;4-6-2-1-5-3-6/h5-12H,2-4,13-14H2,1H3,(H,21,22);3H,1-2,4H2/p-1