3-[3-[2-[1,3-benzoxazol-2-yl(4-methylpentyl)amino]ethyl]phenoxy]-3-methyl-butan-2-one

Systemtic Name: 3-[3-[2-[1,3-benzoxazol-2-yl(4-methylpentyl)amino]ethyl]phenoxy]-3-methyl-butan-2-one Openeye Name: 3-[3-[2-[1,3-benzoxazol-2-yl(isohexyl)amino]ethyl]phenoxy]-3-methyl-butan-2-one CAS Name: 3-[3-[2-[1,3-benzoxazol-2-yl(4-methylpentyl)amino]ethyl]phenoxy]-3-methyl-2-butanone IUPAC Name: 3-[3-[2-[1,3-benzoxazol-2-yl(4-methylpentyl)amino]ethyl]phenoxy]-3-methylbutan-2-one Traditional Name: 3-[3-[2-[1,3-benzoxazol-2-yl(isohexyl)amino]ethyl]phenoxy]-3-methyl-butan-2-one Formula: C26H34N2O3 MolecularWeight: 422.55976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN(CCC1=CC(=CC=C1)OC(C)(C)C(=O)C)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)CCCN(CCC1=CC(=CC=C1)OC(C)(C)C(=O)C)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C26H34N2O3/c1-19(2)10-9-16-28(25-27-23-13-6-7-14-24(23)30-25)17-15-21-11-8-12-22(18-21)31-26(4,5)20(3)29/h6-8,11-14,18-19H,9-10,15-17H2,1-5H3