[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate

Systemtic Name: [2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Openeye Name: [2-(5-chloro-2-fluoro-anilino)-2-oxo-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate CAS Name: 3-acetamido-3-(4-methoxyphenyl)propanoic acid [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Traditional Name: 3-acetamido-3-(4-methoxyphenyl)propionic acid [2-(5-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H20ClFN2O5 MolecularWeight: 422.834603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClFN2O5/c1-12(25)23-17(13-3-6-15(28-2)7-4-13)10-20(27)29-11-19(26)24-18-9-14(21)5-8-16(18)22/h3-9,17H,10-11H2,1-2H3,(H,23,25)(H,24,26)