4-bromanyl-N-[(2S)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-N-methyl-benzamide

Systemtic Name: 4-bromanyl-N-[(2S)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-N-methyl-benzamide Openeye Name: 4-bromo-N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-N-methyl-benzamide CAS Name: 4-bromo-N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzamide IUPAC Name: 4-bromo-N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzamide Traditional Name: 4-bromo-N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-N-methyl-benzamide Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN(C)C(=O)C2=CC=C(C=C2)Br)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC[C@H](CN(C)C(=O)C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C21H26BrNO3/c1-21(2,3)16-7-11-19(12-8-16)26-14-18(24)13-23(4)20(25)15-5-9-17(22)10-6-15/h5-12,18,24H,13-14H2,1-4H3/t18-/m0/s1