[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-methoxy-4-propoxy-benzoate Openeye Name: [(1R)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 3-chloro-5-methoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propoxybenzoic acid [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-methoxy-4-propoxy-benzoic acid [(1R)-2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21ClFNO5 MolecularWeight: 409.835843

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)F)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)F)OC

InChI

InChI=1S/C20H21ClFNO5/c1-4-9-27-18-16(21)10-13(11-17(18)26-3)20(25)28-12(2)19(24)23-15-7-5-14(22)6-8-15/h5-8,10-12H,4,9H2,1-3H3,(H,23,24)/t12-/m1/s1