[(2S)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-propoxy-benzoate

Systemtic Name: [(2S)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-propoxy-benzoate Openeye Name: [(1S)-2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 3-methoxy-4-propoxy-benzoate CAS Name: 3-methoxy-4-propoxybenzoic acid [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate Traditional Name: 3-methoxy-4-propoxy-benzoic acid [(1S)-2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22FNO5 MolecularWeight: 375.390783

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2F)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2F)OC

InChI

InChI=1S/C20H22FNO5/c1-4-11-26-17-10-9-14(12-18(17)25-3)20(24)27-13(2)19(23)22-16-8-6-5-7-15(16)21/h5-10,12-13H,4,11H2,1-3H3,(H,22,23)/t13-/m0/s1