[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate CAS Name: 3-[(4-fluorophenyl)methoxy]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate Traditional Name: 3-(4-fluorobenzyl)oxybenzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H24FNO4 MolecularWeight: 373.417963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC(=CC=C1)OCC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC(=CC=C1)OCC2=CC=C(C=C2)F

InChI

InChI=1S/C21H24FNO4/c1-15(2)10-11-23-20(24)14-27-21(25)17-4-3-5-19(12-17)26-13-16-6-8-18(22)9-7-16/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,23,24)