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

Systemtic Name: [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 3-methoxy-4-propoxy-benzoate Openeye Name: [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl] 3-methoxy-4-propoxy-benzoate CAS Name: 3-methoxy-4-propoxybenzoic acid [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate Traditional Name: 3-methoxy-4-propoxy-benzoic acid [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C21H24FNO5 MolecularWeight: 389.417363

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC=C(C=C2)F)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)N[C@@H](C)C2=CC=C(C=C2)F)OC

InChI

InChI=1S/C21H24FNO5/c1-4-11-27-18-10-7-16(12-19(18)26-3)21(25)28-13-20(24)23-14(2)15-5-8-17(22)9-6-15/h5-10,12,14H,4,11,13H2,1-3H3,(H,23,24)/t14-/m0/s1