1-[4-[(2-azanyl-2-methyl-3-oxidanyl-propoxy)methyl]-3-chloranyl-phenyl]-4-(4-methylphenyl)butan-1-one

Systemtic Name: 1-[4-[(2-azanyl-2-methyl-3-oxidanyl-propoxy)methyl]-3-chloranyl-phenyl]-4-(4-methylphenyl)butan-1-one Openeye Name: 1-[4-[(2-amino-3-hydroxy-2-methyl-propoxy)methyl]-3-chloro-phenyl]-4-(p-tolyl)butan-1-one CAS Name: 1-[4-[(2-amino-3-hydroxy-2-methylpropoxy)methyl]-3-chlorophenyl]-4-(4-methylphenyl)-1-butanone IUPAC Name: 1-[4-[(2-amino-3-hydroxy-2-methylpropoxy)methyl]-3-chlorophenyl]-4-(4-methylphenyl)butan-1-one Traditional Name: 1-[4-[(2-amino-3-hydroxy-2-methyl-propoxy)methyl]-3-chloro-phenyl]-4-(p-tolyl)butan-1-one Formula: C22H28ClNO3 MolecularWeight: 389.91562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClNO3/c1-16-6-8-17(9-7-16)4-3-5-21(26)18-10-11-19(20(23)12-18)13-27-15-22(2,24)14-25/h6-12,25H,3-5,13-15,24H2,1-2H3