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

Systemtic Name: 1-[4-[(2-azanyl-2-methyl-3-oxidanyl-propoxy)methyl]-3-chloranyl-phenyl]-4-phenyl-butan-1-one Openeye Name: 1-[4-[(2-amino-3-hydroxy-2-methyl-propoxy)methyl]-3-chloro-phenyl]-4-phenyl-butan-1-one CAS Name: 1-[4-[(2-amino-3-hydroxy-2-methylpropoxy)methyl]-3-chlorophenyl]-4-phenyl-1-butanone IUPAC Name: 1-[4-[(2-amino-3-hydroxy-2-methylpropoxy)methyl]-3-chlorophenyl]-4-phenylbutan-1-one Traditional Name: 1-[4-[(2-amino-3-hydroxy-2-methyl-propoxy)methyl]-3-chloro-phenyl]-4-phenyl-butan-1-one Formula: C21H26ClNO3 MolecularWeight: 375.88904

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(COCC1=C(C=C(C=C1)C(=O)CCCC2=CC=CC=C2)Cl)N

Isomeric SMILES

CC(CO)(COCC1=C(C=C(C=C1)C(=O)CCCC2=CC=CC=C2)Cl)N

InChI

InChI=1S/C21H26ClNO3/c1-21(23,14-24)15-26-13-18-11-10-17(12-19(18)22)20(25)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-12,24H,5,8-9,13-15,23H2,1H3