tert-butyl (3S,4R)-3-oxidanyl-4-phenylmethoxy-2,3,4,7-tetrahydroazepine-1-carboxylate

Systemtic Name: tert-butyl (3S,4R)-3-oxidanyl-4-phenylmethoxy-2,3,4,7-tetrahydroazepine-1-carboxylate Openeye Name: tert-butyl (3S,4R)-4-benzyloxy-3-hydroxy-2,3,4,7-tetrahydroazepine-1-carboxylate CAS Name: (3S,4R)-3-hydroxy-4-phenylmethoxy-2,3,4,7-tetrahydroazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R)-3-hydroxy-4-phenylmethoxy-2,3,4,7-tetrahydroazepine-1-carboxylate Traditional Name: (3S,4R)-4-benzoxy-3-hydroxy-2,3,4,7-tetrahydroazepine-1-carboxylic acid tert-butyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC=CC(C(C1)O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CC=C[C@H]([C@H](C1)O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H25NO4/c1-18(2,3)23-17(21)19-11-7-10-16(15(20)12-19)22-13-14-8-5-4-6-9-14/h4-10,15-16,20H,11-13H2,1-3H3/t15-,16+/m0/s1