[6-(4-fluoranyl-2-methoxy-phenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methyl 4-fluoranylbenzoate

Systemtic Name: [6-(4-fluoranyl-2-methoxy-phenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methyl 4-fluoranylbenzoate Openeye Name: [6-(4-fluoro-2-methoxy-phenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methyl ester IUPAC Name: [6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [6-(4-fluoro-2-methoxy-phenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methyl ester Formula: C27H25F2NO3 MolecularWeight: 449.489106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC2=C1C(=C(C=C2)C3=C(C=C(C=C3)F)OC)COC(=O)C4=CC=C(C=C4)F)(C)C

Isomeric SMILES

CC1=CC(NC2=C1C(=C(C=C2)C3=C(C=C(C=C3)F)OC)COC(=O)C4=CC=C(C=C4)F)(C)C

InChI

InChI=1S/C27H25F2NO3/c1-16-14-27(2,3)30-23-12-11-20(21-10-9-19(29)13-24(21)32-4)22(25(16)23)15-33-26(31)17-5-7-18(28)8-6-17/h5-14,30H,15H2,1-4H3