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

Systemtic Name: 5-tert-butyl-1-[2-(4-methoxyphenyl)-3-oxidanyl-propyl]azepan-2-one Openeye Name: 5-tert-butyl-1-[3-hydroxy-2-(4-methoxyphenyl)propyl]azepan-2-one CAS Name: 5-tert-butyl-1-[3-hydroxy-2-(4-methoxyphenyl)propyl]-2-azepanone IUPAC Name: 5-tert-butyl-1-[3-hydroxy-2-(4-methoxyphenyl)propyl]azepan-2-one Traditional Name: 5-tert-butyl-1-[3-hydroxy-2-(4-methoxyphenyl)propyl]azepan-2-one Formula: C20H31NO3 MolecularWeight: 333.46504

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO3/c1-20(2,3)17-7-10-19(23)21(12-11-17)13-16(14-22)15-5-8-18(24-4)9-6-15/h5-6,8-9,16-17,22H,7,10-14H2,1-4H3