[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-fluorophenyl)methoxy]benzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-fluorophenyl)methoxy]benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate CAS Name: 3-[(4-fluorophenyl)methoxy]benzoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)methoxy]benzoate Traditional Name: 3-(4-fluorobenzyl)oxybenzoic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C25H22FNO6 MolecularWeight: 451.443683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=CC=C3)OCC4=CC=C(C=C4)F

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=CC=C3)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H22FNO6/c1-16(24(28)27-13-18-7-10-22-23(11-18)32-15-31-22)33-25(29)19-3-2-4-21(12-19)30-14-17-5-8-20(26)9-6-17/h2-12,16H,13-15H2,1H3,(H,27,28)