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

Systemtic Name: 1-[4-[(2-azanyl-2-methyl-3-oxidanyl-propoxy)methyl]-3-chloranyl-phenyl]-4-(2,5-dimethylphenyl)butan-1-one Openeye Name: 1-[4-[(2-amino-3-hydroxy-2-methyl-propoxy)methyl]-3-chloro-phenyl]-4-(2,5-dimethylphenyl)butan-1-one CAS Name: 1-[4-[(2-amino-3-hydroxy-2-methylpropoxy)methyl]-3-chlorophenyl]-4-(2,5-dimethylphenyl)-1-butanone IUPAC Name: 1-[4-[(2-amino-3-hydroxy-2-methylpropoxy)methyl]-3-chlorophenyl]-4-(2,5-dimethylphenyl)butan-1-one Traditional Name: 1-[4-[(2-amino-3-hydroxy-2-methyl-propoxy)methyl]-3-chloro-phenyl]-4-(2,5-dimethylphenyl)butan-1-one Formula: C23H30ClNO3 MolecularWeight: 403.9422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClNO3/c1-16-7-8-17(2)18(11-16)5-4-6-22(27)19-9-10-20(21(24)12-19)13-28-15-23(3,25)14-26/h7-12,26H,4-6,13-15,25H2,1-3H3