tert-butyl 2-[oxidanyl(phenyl)methyl]azepane-1-carboxylate

Systemtic Name: tert-butyl 2-[oxidanyl(phenyl)methyl]azepane-1-carboxylate Openeye Name: tert-butyl 2-[hydroxy(phenyl)methyl]azepane-1-carboxylate CAS Name: 2-[hydroxy(phenyl)methyl]-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[hydroxy(phenyl)methyl]azepane-1-carboxylate Traditional Name: 2-[hydroxy(phenyl)methyl]azepane-1-carboxylic acid tert-butyl ester Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCCC1C(C2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCCC1C(C2=CC=CC=C2)O

InChI

InChI=1S/C18H27NO3/c1-18(2,3)22-17(21)19-13-9-5-8-12-15(19)16(20)14-10-6-4-7-11-14/h4,6-7,10-11,15-16,20H,5,8-9,12-13H2,1-3H3