3-cyanopropyl 4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-benzoate

Systemtic Name: 3-cyanopropyl 4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-benzoate Openeye Name: 3-cyanopropyl 4-[2-(4-fluoroanilino)-2-oxo-ethoxy]-3-methoxy-benzoate CAS Name: 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate Traditional Name: 4-[2-(4-fluoroanilino)-2-keto-ethoxy]-3-methoxy-benzoic acid 3-cyanopropyl ester Formula: C20H19FN2O5 MolecularWeight: 386.373663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCCCC#N)OCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCCCC#N)OCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C20H19FN2O5/c1-26-18-12-14(20(25)27-11-3-2-10-22)4-9-17(18)28-13-19(24)23-16-7-5-15(21)6-8-16/h4-9,12H,2-3,11,13H2,1H3,(H,23,24)