1-[4-(2-azanyl-2-methyl-3-oxidanyl-propoxy)phenyl]-4-(3,5-dimethylphenyl)butan-1-one

Systemtic Name: 1-[4-(2-azanyl-2-methyl-3-oxidanyl-propoxy)phenyl]-4-(3,5-dimethylphenyl)butan-1-one Openeye Name: 1-[4-(2-amino-3-hydroxy-2-methyl-propoxy)phenyl]-4-(3,5-dimethylphenyl)butan-1-one CAS Name: 1-[4-(2-amino-3-hydroxy-2-methylpropoxy)phenyl]-4-(3,5-dimethylphenyl)-1-butanone IUPAC Name: 1-[4-(2-amino-3-hydroxy-2-methylpropoxy)phenyl]-4-(3,5-dimethylphenyl)butan-1-one Traditional Name: 1-[4-(2-amino-3-hydroxy-2-methyl-propoxy)phenyl]-4-(3,5-dimethylphenyl)butan-1-one Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CCCC(=O)C2=CC=C(C=C2)OCC(C)(CO)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)CCCC(=O)C2=CC=C(C=C2)OCC(C)(CO)N)C

InChI

InChI=1S/C22H29NO3/c1-16-11-17(2)13-18(12-16)5-4-6-21(25)19-7-9-20(10-8-19)26-15-22(3,23)14-24/h7-13,24H,4-6,14-15,23H2,1-3H3