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

Systemtic Name: ethyl 4-[[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate CAS Name: 4-[[[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate Traditional Name: 4-[[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoic acid ethyl ester Formula: C25H23FN2O3 MolecularWeight: 418.460123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCC3=CC=CC=C3C2C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCC3=CC=CC=C3C2C4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN2O3/c1-2-31-24(29)19-9-13-21(14-10-19)27-25(30)28-16-15-17-5-3-4-6-22(17)23(28)18-7-11-20(26)12-8-18/h3-14,23H,2,15-16H2,1H3,(H,27,30)