[2,2,4-trimethyl-1-(3-methylphenyl)carbonyl-quinolin-6-yl] 4-fluoranylbenzoate

Systemtic Name: [2,2,4-trimethyl-1-(3-methylphenyl)carbonyl-quinolin-6-yl] 4-fluoranylbenzoate Openeye Name: [2,2,4-trimethyl-1-(3-methylbenzoyl)-6-quinolyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2,2,4-trimethyl-1-[(3-methylphenyl)-oxomethyl]-6-quinolinyl] ester IUPAC Name: [2,2,4-trimethyl-1-(3-methylbenzoyl)quinolin-6-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid (2,2,4-trimethyl-1-m-toluoyl-6-quinolyl) ester Formula: C27H24FNO3 MolecularWeight: 429.482763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2C3=C(C=C(C=C3)OC(=O)C4=CC=C(C=C4)F)C(=CC2(C)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2C3=C(C=C(C=C3)OC(=O)C4=CC=C(C=C4)F)C(=CC2(C)C)C

InChI

InChI=1S/C27H24FNO3/c1-17-6-5-7-20(14-17)25(30)29-24-13-12-22(15-23(24)18(2)16-27(29,3)4)32-26(31)19-8-10-21(28)11-9-19/h5-16H,1-4H3