[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-phenylbutanoate

Systemtic Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-phenylbutanoate Openeye Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxo-ethyl] 3-phenylbutanoate CAS Name: 3-phenylbutanoic acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C21H22FNO3 MolecularWeight: 355.402683

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC(C1=CC=C(C=C1)F)C(=O)NC2CC2)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)OC(C1=CC=C(C=C1)F)C(=O)NC2CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H22FNO3/c1-14(15-5-3-2-4-6-15)13-19(24)26-20(21(25)23-18-11-12-18)16-7-9-17(22)10-8-16/h2-10,14,18,20H,11-13H2,1H3,(H,23,25)