[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-butoxybenzoate

Systemtic Name: [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-butoxybenzoate Openeye Name: [(1R)-2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [(1R)-2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H24FNO4 MolecularWeight: 373.417963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)O[C@H](C)C(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C21H24FNO4/c1-3-4-13-26-19-11-7-17(8-12-19)21(25)27-15(2)20(24)23-14-16-5-9-18(22)10-6-16/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,24)/t15-/m1/s1