3-methyl-1-[3-methyl-2-oxidanyl-4-[4-(3-pyridin-2-ylphenoxy)butoxy]phenyl]butan-1-one

Systemtic Name: 3-methyl-1-[3-methyl-2-oxidanyl-4-[4-(3-pyridin-2-ylphenoxy)butoxy]phenyl]butan-1-one Openeye Name: 1-[2-hydroxy-3-methyl-4-[4-[3-(2-pyridyl)phenoxy]butoxy]phenyl]-3-methyl-butan-1-one CAS Name: 1-[2-hydroxy-3-methyl-4-[4-[3-(2-pyridinyl)phenoxy]butoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[2-hydroxy-3-methyl-4-[4-(3-pyridin-2-ylphenoxy)butoxy]phenyl]-3-methylbutan-1-one Traditional Name: 1-[2-hydroxy-3-methyl-4-[4-[3-(2-pyridyl)phenoxy]butoxy]phenyl]-3-methyl-butan-1-one Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC=CC(=C2)C3=CC=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC=CC(=C2)C3=CC=CC=N3

InChI

InChI=1S/C27H31NO4/c1-19(2)17-25(29)23-12-13-26(20(3)27(23)30)32-16-7-6-15-31-22-10-8-9-21(18-22)24-11-4-5-14-28-24/h4-5,8-14,18-19,30H,6-7,15-17H2,1-3H3