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

Systemtic Name: [1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-chloro-5-methoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propoxybenzoic acid [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-methoxy-4-propoxy-benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H23ClFNO5 MolecularWeight: 423.862423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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