[(1S)-2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [(1S)-2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [(1S)-2-amino-1-(4-fluorophenyl)-2-oxo-ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [(1S)-2-amino-1-(4-fluorophenyl)-2-keto-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(C2=CC=C(C=C2)F)C(=O)N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)O[C@@H](C2=CC=C(C=C2)F)C(=O)N)OCC

InChI

InChI=1S/C20H21ClFNO5/c1-3-9-27-18-15(21)10-13(11-16(18)26-4-2)20(25)28-17(19(23)24)12-5-7-14(22)8-6-12/h5-8,10-11,17H,3-4,9H2,1-2H3,(H2,23,24)/t17-/m0/s1