[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C21H24FNO4 MolecularWeight: 373.417963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N[C@@H](C)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H24FNO4/c1-3-4-13-26-19-11-7-17(8-12-19)21(25)27-14-20(24)23-15(2)16-5-9-18(22)10-6-16/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,24)/t15-/m0/s1