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

Systemtic Name: N-[(2S)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-4-chloranyl-N-methyl-benzamide Openeye Name: N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-chloro-N-methyl-benzamide CAS Name: N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-chloro-N-methylbenzamide IUPAC Name: N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-chloro-N-methylbenzamide Traditional Name: N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-chloro-N-methyl-benzamide Formula: C21H26ClNO3 MolecularWeight: 375.88904

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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)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClNO3/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