[2-[[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl] 3-fluoranylbenzoate

Systemtic Name: [2-[[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl] 3-fluoranylbenzoate Openeye Name: [2-[[2-(4-acetamidoanilino)-2-oxo-ethyl]-ethyl-amino]-2-oxo-ethyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [2-[[2-(4-acetamidoanilino)-2-keto-ethyl]-ethyl-amino]-2-keto-ethyl] ester Formula: C21H22FN3O5 MolecularWeight: 415.414883

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)COC(=O)C2=CC(=CC=C2)F

Isomeric SMILES

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)COC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C21H22FN3O5/c1-3-25(20(28)13-30-21(29)15-5-4-6-16(22)11-15)12-19(27)24-18-9-7-17(8-10-18)23-14(2)26/h4-11H,3,12-13H2,1-2H3,(H,23,26)(H,24,27)