[(1S)-2-oxidanylidenecyclohexyl] 4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-[2-(4-fluoroanilino)-2-oxo-ethoxy]-3-methoxy-benzoate CAS Name: 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate Traditional Name: 4-[2-(4-fluoroanilino)-2-keto-ethoxy]-3-methoxy-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C22H22FNO6 MolecularWeight: 415.411583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC2CCCCC2=O)OCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O[C@H]2CCCCC2=O)OCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FNO6/c1-28-20-12-14(22(27)30-18-5-3-2-4-17(18)25)6-11-19(20)29-13-21(26)24-16-9-7-15(23)8-10-16/h6-12,18H,2-5,13H2,1H3,(H,24,26)/t18-/m0/s1