[4-[(Z)-2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 3-cyclohexylpropanoate

Systemtic Name: [4-[(Z)-2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 3-cyclohexylpropanoate Openeye Name: [4-[(Z)-3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-cyclohexylpropanoate CAS Name: 3-cyclohexylpropanoic acid [4-[(Z)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 3-cyclohexylpropanoate Traditional Name: 3-cyclohexylpropionic acid [4-[(Z)-3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC=C)OC(=O)CCC2CCCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)NCC=C)OC(=O)CCC2CCCCC2

InChI

InChI=1S/C23H28N2O4/c1-3-13-25-23(27)19(16-24)14-18-9-11-20(21(15-18)28-2)29-22(26)12-10-17-7-5-4-6-8-17/h3,9,11,14-15,17H,1,4-8,10,12-13H2,2H3,(H,25,27)/b19-14-