3-methyl-1-[3-methyl-2-oxidanyl-4-(4-pyrimidin-2-yloxybutoxy)phenyl]butan-1-one

Systemtic Name: 3-methyl-1-[3-methyl-2-oxidanyl-4-(4-pyrimidin-2-yloxybutoxy)phenyl]butan-1-one Openeye Name: 1-[2-hydroxy-3-methyl-4-(4-pyrimidin-2-yloxybutoxy)phenyl]-3-methyl-butan-1-one CAS Name: 1-[2-hydroxy-3-methyl-4-[4-(2-pyrimidinyloxy)butoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[2-hydroxy-3-methyl-4-(4-pyrimidin-2-yloxybutoxy)phenyl]-3-methylbutan-1-one Traditional Name: 1-[2-hydroxy-3-methyl-4-[4-(2-pyrimidyloxy)butoxy]phenyl]-3-methyl-butan-1-one Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=NC=CC=N2

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=NC=CC=N2

InChI

InChI=1S/C20H26N2O4/c1-14(2)13-17(23)16-7-8-18(15(3)19(16)24)25-11-4-5-12-26-20-21-9-6-10-22-20/h6-10,14,24H,4-5,11-13H2,1-3H3