5-tert-butyl-1-[3-oxidanyl-2-(3,4,5-trimethoxyphenyl)propyl]azepan-2-one

Systemtic Name: 5-tert-butyl-1-[3-oxidanyl-2-(3,4,5-trimethoxyphenyl)propyl]azepan-2-one Openeye Name: 5-tert-butyl-1-[3-hydroxy-2-(3,4,5-trimethoxyphenyl)propyl]azepan-2-one CAS Name: 5-tert-butyl-1-[3-hydroxy-2-(3,4,5-trimethoxyphenyl)propyl]-2-azepanone IUPAC Name: 5-tert-butyl-1-[3-hydroxy-2-(3,4,5-trimethoxyphenyl)propyl]azepan-2-one Traditional Name: 5-tert-butyl-1-[3-hydroxy-2-(3,4,5-trimethoxyphenyl)propyl]azepan-2-one Formula: C22H35NO5 MolecularWeight: 393.517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO5/c1-22(2,3)17-7-8-20(25)23(10-9-17)13-16(14-24)15-11-18(26-4)21(28-6)19(12-15)27-5/h11-12,16-17,24H,7-10,13-14H2,1-6H3