[2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-benzamidopropanoate

Systemtic Name: [2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-benzamidopropanoate Openeye Name: [2-[[2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic acid [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-[[2-(4-fluoroanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C21H22FN3O5 MolecularWeight: 415.414883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N(C)CC(=O)NC1=CC=C(C=C1)F)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OCC(=O)N(C)CC(=O)NC1=CC=C(C=C1)F)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22FN3O5/c1-14(23-20(28)15-6-4-3-5-7-15)21(29)30-13-19(27)25(2)12-18(26)24-17-10-8-16(22)9-11-17/h3-11,14H,12-13H2,1-2H3,(H,23,28)(H,24,26)