[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methoxy-4-propoxy-benzoate

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methoxy-4-propoxy-benzoate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 3-methoxy-4-propoxy-benzoate CAS Name: 3-methoxy-4-propoxybenzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate Traditional Name: 3-methoxy-4-propoxy-benzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H24FNO5 MolecularWeight: 389.417363

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F)OC

InChI

InChI=1S/C21H24FNO5/c1-3-12-27-18-9-6-16(13-19(18)26-2)21(25)28-14-20(24)23-11-10-15-4-7-17(22)8-5-15/h4-9,13H,3,10-12,14H2,1-2H3,(H,23,24)