tert-butyl N-[(Z)-4-cyano-4-diethoxyphosphoryl-3-oxidanyl-1-phenyl-but-3-en-2-yl]carbamate

Systemtic Name: tert-butyl N-[(Z)-4-cyano-4-diethoxyphosphoryl-3-oxidanyl-1-phenyl-but-3-en-2-yl]carbamate Openeye Name: tert-butyl N-[(Z)-1-benzyl-3-cyano-3-diethoxyphosphoryl-2-hydroxy-allyl]carbamate CAS Name: N-[(Z)-4-cyano-4-diethoxyphosphoryl-3-hydroxy-1-phenylbut-3-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(Z)-4-cyano-4-diethoxyphosphoryl-3-hydroxy-1-phenylbut-3-en-2-yl]carbamate Traditional Name: N-[(Z)-1-benzyl-3-cyano-3-diethoxyphosphoryl-2-hydroxy-allyl]carbamic acid tert-butyl ester Formula: C20H29N2O6P MolecularWeight: 424.427821

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=C(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)C#N)OCC

Isomeric SMILES

CCOP(=O)(/C(=C(/C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)\O)/C#N)OCC

InChI

InChI=1S/C20H29N2O6P/c1-6-26-29(25,27-7-2)17(14-21)18(23)16(13-15-11-9-8-10-12-15)22-19(24)28-20(3,4)5/h8-12,16,23H,6-7,13H2,1-5H3,(H,22,24)/b18-17-