2-(3-azanylpropyl)-7-(2-imidazol-1-ylethyl)-2,6-dimethyl-4-propan-2-yl-3H-1-benzofuran-5-ol

Systemtic Name: 2-(3-azanylpropyl)-7-(2-imidazol-1-ylethyl)-2,6-dimethyl-4-propan-2-yl-3H-1-benzofuran-5-ol Openeye Name: 2-(3-aminopropyl)-7-(2-imidazol-1-ylethyl)-4-isopropyl-2,6-dimethyl-3H-benzofuran-5-ol CAS Name: 2-(3-aminopropyl)-7-[2-(1-imidazolyl)ethyl]-2,6-dimethyl-4-propan-2-yl-3H-benzofuran-5-ol IUPAC Name: 2-(3-aminopropyl)-7-(2-imidazol-1-ylethyl)-2,6-dimethyl-4-propan-2-yl-3H-1-benzofuran-5-ol Traditional Name: 2-(3-aminopropyl)-7-(2-imidazol-1-ylethyl)-4-isopropyl-2,6-dimethyl-coumaran-5-ol Formula: C21H31N3O2 MolecularWeight: 357.48974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CC(OC2=C1CCN3C=CN=C3)(C)CCCN)C(C)C)O

Isomeric SMILES

CC1=C(C(=C2CC(OC2=C1CCN3C=CN=C3)(C)CCCN)C(C)C)O

InChI

InChI=1S/C21H31N3O2/c1-14(2)18-17-12-21(4,7-5-8-22)26-20(17)16(15(3)19(18)25)6-10-24-11-9-23-13-24/h9,11,13-14,25H,5-8,10,12,22H2,1-4H3