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

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H23ClFNO5 MolecularWeight: 423.862423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC2=CC=C(C=C2)F)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC2=CC=C(C=C2)F)OCC

InChI

InChI=1S/C21H23ClFNO5/c1-3-9-28-20-17(22)10-15(11-18(20)27-4-2)21(26)29-13-19(25)24-12-14-5-7-16(23)8-6-14/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,24,25)