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

Systemtic Name: 3-methyl-1-[3-methyl-2-oxidanyl-4-(4-quinolin-3-yloxybutoxy)phenyl]butan-1-one Openeye Name: 1-[2-hydroxy-3-methyl-4-[4-(3-quinolyloxy)butoxy]phenyl]-3-methyl-butan-1-one CAS Name: 1-[2-hydroxy-3-methyl-4-[4-(3-quinolinyloxy)butoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[2-hydroxy-3-methyl-4-(4-quinolin-3-yloxybutoxy)phenyl]-3-methylbutan-1-one Traditional Name: 1-[2-hydroxy-3-methyl-4-[4-(3-quinolyloxy)butoxy]phenyl]-3-methyl-butan-1-one Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C25H29NO4/c1-17(2)14-23(27)21-10-11-24(18(3)25(21)28)30-13-7-6-12-29-20-15-19-8-4-5-9-22(19)26-16-20/h4-5,8-11,15-17,28H,6-7,12-14H2,1-3H3