1-[4-[4-(5-chloranylpyridin-3-yl)oxybutoxy]-3-methyl-2-oxidanyl-phenyl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[4-(5-chloranylpyridin-3-yl)oxybutoxy]-3-methyl-2-oxidanyl-phenyl]-3-methyl-butan-1-one Openeye Name: 1-[4-[4-[(5-chloro-3-pyridyl)oxy]butoxy]-2-hydroxy-3-methyl-phenyl]-3-methyl-butan-1-one CAS Name: 1-[4-[4-[(5-chloro-3-pyridinyl)oxy]butoxy]-2-hydroxy-3-methylphenyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[4-(5-chloropyridin-3-yl)oxybutoxy]-2-hydroxy-3-methylphenyl]-3-methylbutan-1-one Traditional Name: 1-[4-[4-[(5-chloro-3-pyridyl)oxy]butoxy]-2-hydroxy-3-methyl-phenyl]-3-methyl-butan-1-one Formula: C21H26ClNO4 MolecularWeight: 391.88844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC(=CN=C2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC(=CN=C2)Cl

InChI

InChI=1S/C21H26ClNO4/c1-14(2)10-19(24)18-6-7-20(15(3)21(18)25)27-9-5-4-8-26-17-11-16(22)12-23-13-17/h6-7,11-14,25H,4-5,8-10H2,1-3H3