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

Systemtic Name: 3-[3-[2-[1,3-benzoxazol-2-yl(cyclohexyl)amino]ethyl]phenoxy]-3-methyl-butan-2-one Openeye Name: 3-[3-[2-[1,3-benzoxazol-2-yl(cyclohexyl)amino]ethyl]phenoxy]-3-methyl-butan-2-one CAS Name: 3-[3-[2-[1,3-benzoxazol-2-yl(cyclohexyl)amino]ethyl]phenoxy]-3-methyl-2-butanone IUPAC Name: 3-[3-[2-[1,3-benzoxazol-2-yl(cyclohexyl)amino]ethyl]phenoxy]-3-methylbutan-2-one Traditional Name: 3-[3-[2-[1,3-benzoxazol-2-yl(cyclohexyl)amino]ethyl]phenoxy]-3-methyl-butan-2-one Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)OC1=CC=CC(=C1)CCN(C2CCCCC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(=O)C(C)(C)OC1=CC=CC(=C1)CCN(C2CCCCC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C26H32N2O3/c1-19(29)26(2,3)31-22-13-9-10-20(18-22)16-17-28(21-11-5-4-6-12-21)25-27-23-14-7-8-15-24(23)30-25/h7-10,13-15,18,21H,4-6,11-12,16-17H2,1-3H3