tert-butyl (3R,4R)-4-acetyloxy-3-[(4-phenylmethoxyphenyl)carbonylamino]azepane-1-carboxylate

Systemtic Name: tert-butyl (3R,4R)-4-acetyloxy-3-[(4-phenylmethoxyphenyl)carbonylamino]azepane-1-carboxylate Openeye Name: tert-butyl (3R,4R)-4-acetoxy-3-[(4-benzyloxybenzoyl)amino]azepane-1-carboxylate CAS Name: (3R,4R)-4-acetyloxy-3-[[oxo-(4-phenylmethoxyphenyl)methyl]amino]-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R,4R)-4-acetyloxy-3-[(4-phenylmethoxybenzoyl)amino]azepane-1-carboxylate Traditional Name: (3R,4R)-4-acetoxy-3-[(4-benzoxybenzoyl)amino]azepane-1-carboxylic acid tert-butyl ester Formula: C27H34N2O6 MolecularWeight: 482.56866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCN(CC1NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)O[C@@H]1CCCN(C[C@H]1NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H34N2O6/c1-19(30)34-24-11-8-16-29(26(32)35-27(2,3)4)17-23(24)28-25(31)21-12-14-22(15-13-21)33-18-20-9-6-5-7-10-20/h5-7,9-10,12-15,23-24H,8,11,16-18H2,1-4H3,(H,28,31)/t23-,24-/m1/s1