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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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