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

Systemtic Name: 1-[4-[(2-azanyl-2-methyl-3-oxidanyl-propoxy)methyl]phenyl]-4-(2,5-dimethylphenyl)butan-1-one Openeye Name: 1-[4-[(2-amino-3-hydroxy-2-methyl-propoxy)methyl]phenyl]-4-(2,5-dimethylphenyl)butan-1-one CAS Name: 1-[4-[(2-amino-3-hydroxy-2-methylpropoxy)methyl]phenyl]-4-(2,5-dimethylphenyl)-1-butanone IUPAC Name: 1-[4-[(2-amino-3-hydroxy-2-methylpropoxy)methyl]phenyl]-4-(2,5-dimethylphenyl)butan-1-one Traditional Name: 1-[4-[(2-amino-3-hydroxy-2-methyl-propoxy)methyl]phenyl]-4-(2,5-dimethylphenyl)butan-1-one Formula: C23H31NO3 MolecularWeight: 369.49714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3/c1-17-7-8-18(2)21(13-17)5-4-6-22(26)20-11-9-19(10-12-20)14-27-16-23(3,24)15-25/h7-13,25H,4-6,14-16,24H2,1-3H3