5-tert-butyl-1-(2-methyl-3-oxidanyl-2-phenyl-propyl)azepan-2-one

Systemtic Name: 5-tert-butyl-1-(2-methyl-3-oxidanyl-2-phenyl-propyl)azepan-2-one Openeye Name: 5-tert-butyl-1-(3-hydroxy-2-methyl-2-phenyl-propyl)azepan-2-one CAS Name: 5-tert-butyl-1-(3-hydroxy-2-methyl-2-phenylpropyl)-2-azepanone IUPAC Name: 5-tert-butyl-1-(3-hydroxy-2-methyl-2-phenylpropyl)azepan-2-one Traditional Name: 5-tert-butyl-1-(3-hydroxy-2-methyl-2-phenyl-propyl)azepan-2-one Formula: C20H31NO2 MolecularWeight: 317.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(=O)N(CC1)CC(C)(CO)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1CCC(=O)N(CC1)CC(C)(CO)C2=CC=CC=C2

InChI

InChI=1S/C20H31NO2/c1-19(2,3)16-10-11-18(23)21(13-12-16)14-20(4,15-22)17-8-6-5-7-9-17/h5-9,16,22H,10-15H2,1-4H3