3-[2-[3-[1,3-benzoxazol-2-yl(octyl)amino]propyl]phenoxy]-3-methyl-butan-2-one

Systemtic Name: 3-[2-[3-[1,3-benzoxazol-2-yl(octyl)amino]propyl]phenoxy]-3-methyl-butan-2-one Openeye Name: 3-[2-[3-[1,3-benzoxazol-2-yl(octyl)amino]propyl]phenoxy]-3-methyl-butan-2-one CAS Name: 3-[2-[3-[1,3-benzoxazol-2-yl(octyl)amino]propyl]phenoxy]-3-methyl-2-butanone IUPAC Name: 3-[2-[3-[1,3-benzoxazol-2-yl(octyl)amino]propyl]phenoxy]-3-methylbutan-2-one Traditional Name: 3-[2-[3-[1,3-benzoxazol-2-yl(octyl)amino]propyl]phenoxy]-3-methyl-butan-2-one Formula: C29H40N2O3 MolecularWeight: 464.6395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCC1=CC=CC=C1OC(C)(C)C(=O)C)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCCCCCCN(CCCC1=CC=CC=C1OC(C)(C)C(=O)C)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C29H40N2O3/c1-5-6-7-8-9-14-21-31(28-30-25-18-11-13-20-27(25)33-28)22-15-17-24-16-10-12-19-26(24)34-29(3,4)23(2)32/h10-13,16,18-20H,5-9,14-15,17,21-22H2,1-4H3