[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate CAS Name: 3-[(4-fluorophenyl)methoxy]benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate Traditional Name: 3-(4-fluorobenzyl)oxybenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H22FNO4 MolecularWeight: 419.444883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=CC=C3)OCC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=CC=C3)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H22FNO4/c26-22-10-8-18(9-11-22)16-30-23-7-3-6-20(14-23)25(29)31-17-24(28)27-13-12-19-4-1-2-5-21(19)15-27/h1-11,14H,12-13,15-17H2