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

Systemtic Name: [(1S)-2-oxidanylidenecyclopentyl] 4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-benzoate Openeye Name: [(1S)-2-oxocyclopentyl] 4-[2-(4-fluoroanilino)-2-oxo-ethoxy]-3-methoxy-benzoate CAS Name: 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoic acid [(1S)-2-oxocyclopentyl] ester IUPAC Name: [(1S)-2-oxocyclopentyl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate Traditional Name: 4-[2-(4-fluoroanilino)-2-keto-ethoxy]-3-methoxy-benzoic acid [(1S)-2-ketocyclopentyl] ester Formula: C21H20FNO6 MolecularWeight: 401.385003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC2CCCC2=O)OCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O[C@H]2CCCC2=O)OCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FNO6/c1-27-19-11-13(21(26)29-17-4-2-3-16(17)24)5-10-18(19)28-12-20(25)23-15-8-6-14(22)7-9-15/h5-11,17H,2-4,12H2,1H3,(H,23,25)/t17-/m0/s1