[1-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperidin-4-yl]-(2,4-dimethylphenyl)methanone

Systemtic Name: [1-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperidin-4-yl]-(2,4-dimethylphenyl)methanone Openeye Name: [1-[3-(4-bromophenoxy)-2-hydroxy-propyl]-4-piperidyl]-(2,4-dimethylphenyl)methanone CAS Name: [1-[3-(4-bromophenoxy)-2-hydroxypropyl]-4-piperidinyl]-(2,4-dimethylphenyl)methanone IUPAC Name: [1-[3-(4-bromophenoxy)-2-hydroxypropyl]piperidin-4-yl]-(2,4-dimethylphenyl)methanone Traditional Name: [1-[3-(4-bromophenoxy)-2-hydroxy-propyl]-4-piperidyl]-(2,4-dimethylphenyl)methanone Formula: C23H28BrNO3 MolecularWeight: 446.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)CC(COC3=CC=C(C=C3)Br)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)CC(COC3=CC=C(C=C3)Br)O)C

InChI

InChI=1S/C23H28BrNO3/c1-16-3-8-22(17(2)13-16)23(27)18-9-11-25(12-10-18)14-20(26)15-28-21-6-4-19(24)5-7-21/h3-8,13,18,20,26H,9-12,14-15H2,1-2H3