[3-[(2,4,6-trimethylphenyl)carbamoyl]pyrazin-2-yl]methyl 3-fluoranylbenzoate

Systemtic Name: [3-[(2,4,6-trimethylphenyl)carbamoyl]pyrazin-2-yl]methyl 3-fluoranylbenzoate Openeye Name: [3-[(2,4,6-trimethylphenyl)carbamoyl]pyrazin-2-yl]methyl 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [3-[oxo-(2,4,6-trimethylanilino)methyl]-2-pyrazinyl]methyl ester IUPAC Name: [3-[(2,4,6-trimethylphenyl)carbamoyl]pyrazin-2-yl]methyl 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [3-(mesitylcarbamoyl)pyrazin-2-yl]methyl ester Formula: C22H20FN3O3 MolecularWeight: 393.410903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2=NC=CN=C2COC(=O)C3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=NC=CN=C2COC(=O)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C22H20FN3O3/c1-13-9-14(2)19(15(3)10-13)26-21(27)20-18(24-7-8-25-20)12-29-22(28)16-5-4-6-17(23)11-16/h4-11H,12H2,1-3H3,(H,26,27)