[1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethylbenzoate

Systemtic Name: [1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethylbenzoate Openeye Name: [2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [1-(3-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-fluoroanilino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-(3-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18FNO3 MolecularWeight: 315.338823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)F)C

InChI

InChI=1S/C18H18FNO3/c1-11-7-12(2)9-14(8-11)18(22)23-13(3)17(21)20-16-6-4-5-15(19)10-16/h4-10,13H,1-3H3,(H,20,21)