methyl 4-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: methyl 4-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 4-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]amino]benzoate Traditional Name: 4-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-keto-ethyl]amino]benzoic acid methyl ester Formula: C22H25FN2O3 MolecularWeight: 384.443903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(C2=CC=C(C=C2)F)C(=O)NC3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(C2=CC=C(C=C2)F)C(=O)NC3CCCCC3

InChI

InChI=1S/C22H25FN2O3/c1-28-22(27)16-9-13-19(14-10-16)24-20(15-7-11-17(23)12-8-15)21(26)25-18-5-3-2-4-6-18/h7-14,18,20,24H,2-6H2,1H3,(H,25,26)