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

Systemtic Name: methyl 3-[[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate CAS Name: 3-[[[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate Traditional Name: 3-[[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoic acid methyl ester Formula: C24H21FN2O3 MolecularWeight: 404.433543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21FN2O3/c1-30-23(28)18-6-4-7-20(15-18)26-24(29)27-14-13-16-5-2-3-8-21(16)22(27)17-9-11-19(25)12-10-17/h2-12,15,22H,13-14H2,1H3,(H,26,29)