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

Systemtic Name: [1-(4-methoxyphenyl)carbonyl-2,2,4-trimethyl-quinolin-6-yl] 3-fluoranylbenzoate Openeye Name: [1-(4-methoxybenzoyl)-2,2,4-trimethyl-6-quinolyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [1-[(4-methoxyphenyl)-oxomethyl]-2,2,4-trimethyl-6-quinolinyl] ester IUPAC Name: [1-(4-methoxybenzoyl)-2,2,4-trimethylquinolin-6-yl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid (2,2,4-trimethyl-1-p-anisoyl-6-quinolyl) ester Formula: C27H24FNO4 MolecularWeight: 445.482163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24FNO4/c1-17-16-27(2,3)29(25(30)18-8-10-21(32-4)11-9-18)24-13-12-22(15-23(17)24)33-26(31)19-6-5-7-20(28)14-19/h5-16H,1-4H3