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

Systemtic Name: [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-fluoranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [4-[(E)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H23FN2O4 MolecularWeight: 422.448823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2CCCCC2)OC(=O)C3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2CCCCC2)OC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C24H23FN2O4/c1-30-22-14-16(13-17(15-26)23(28)27-18-7-3-2-4-8-18)11-12-21(22)31-24(29)19-9-5-6-10-20(19)25/h5-6,9-14,18H,2-4,7-8H2,1H3,(H,27,28)/b17-13+