ethyl (3R,4R,5S)-4-acetamido-5-azido-3-phenylmethoxy-cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-phenylmethoxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-benzyloxy-cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-azido-3-phenylmethoxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-phenylmethoxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-5-azido-3-benzoxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(C(C(C1)N=[N+]=[N-])NC(=O)C)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C[C@H]([C@@H]([C@H](C1)N=[N+]=[N-])NC(=O)C)OCC2=CC=CC=C2

InChI

InChI=1S/C18H22N4O4/c1-3-25-18(24)14-9-15(21-22-19)17(20-12(2)23)16(10-14)26-11-13-7-5-4-6-8-13/h4-8,10,15-17H,3,9,11H2,1-2H3,(H,20,23)/t15-,16+,17+/m0/s1