tert-butyl N-[(1S,2S,5R)-2-acetamido-5-cyano-5-diethoxyphosphoryloxy-cyclohex-3-en-1-yl]carbamate

Systemtic Name: tert-butyl N-[(1S,2S,5R)-2-acetamido-5-cyano-5-diethoxyphosphoryloxy-cyclohex-3-en-1-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S,5R)-2-acetamido-5-cyano-5-diethoxyphosphoryloxy-cyclohex-3-en-1-yl]carbamate CAS Name: N-[(1S,2S,5R)-2-acetamido-5-cyano-5-diethoxyphosphoryloxy-1-cyclohex-3-enyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S,2S,5R)-2-acetamido-5-cyano-5-diethoxyphosphoryloxycyclohex-3-en-1-yl]carbamate Traditional Name: N-[(1S,2S,5R)-2-acetamido-5-cyano-5-diethoxyphosphoryloxy-cyclohex-3-en-1-yl]carbamic acid tert-butyl ester Formula: C18H30N3O7P MolecularWeight: 431.420461

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OC1(CC(C(C=C1)NC(=O)C)NC(=O)OC(C)(C)C)C#N

Isomeric SMILES

CCOP(=O)(OCC)O[C@@]1(C[C@@H]([C@H](C=C1)NC(=O)C)NC(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C18H30N3O7P/c1-7-25-29(24,26-8-2)28-18(12-19)10-9-14(20-13(3)22)15(11-18)21-16(23)27-17(4,5)6/h9-10,14-15H,7-8,11H2,1-6H3,(H,20,22)(H,21,23)/t14-,15-,18-/m0/s1