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

Systemtic Name: [3-[(3,4-dimethoxyphenyl)carbamoyl]pyrazin-2-yl]methyl 3-fluoranylbenzoate Openeye Name: [3-[(3,4-dimethoxyphenyl)carbamoyl]pyrazin-2-yl]methyl 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [3-[(3,4-dimethoxyanilino)-oxomethyl]-2-pyrazinyl]methyl ester IUPAC Name: [3-[(3,4-dimethoxyphenyl)carbamoyl]pyrazin-2-yl]methyl 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [3-[(3,4-dimethoxyphenyl)carbamoyl]pyrazin-2-yl]methyl ester Formula: C21H18FN3O5 MolecularWeight: 411.383123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=NC=CN=C2COC(=O)C3=CC(=CC=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=NC=CN=C2COC(=O)C3=CC(=CC=C3)F)OC

InChI

InChI=1S/C21H18FN3O5/c1-28-17-7-6-15(11-18(17)29-2)25-20(26)19-16(23-8-9-24-19)12-30-21(27)13-4-3-5-14(22)10-13/h3-11H,12H2,1-2H3,(H,25,26)