tert-butyl [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] carbonate

Systemtic Name: tert-butyl [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] carbonate Openeye Name: tert-butyl [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] carbonate CAS Name: carbonic acid tert-butyl [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: tert-butyl [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] carbonate Traditional Name: carbonic acid tert-butyl [4-[(E)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2CCCCC2)OC

Isomeric SMILES

CC(C)(C)OC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2CCCCC2)OC

InChI

InChI=1S/C22H28N2O5/c1-22(2,3)29-21(26)28-18-11-10-15(13-19(18)27-4)12-16(14-23)20(25)24-17-8-6-5-7-9-17/h10-13,17H,5-9H2,1-4H3,(H,24,25)/b16-12+