[2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate

Systemtic Name: [2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Openeye Name: [2-(2-iodoanilino)-2-oxo-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate CAS Name: 3-acetamido-3-(4-methoxyphenyl)propanoic acid [2-(2-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-iodoanilino)-2-oxoethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Traditional Name: 3-acetamido-3-(4-methoxyphenyl)propionic acid [2-(2-iodoanilino)-2-keto-ethyl] ester Formula: C20H21IN2O5 MolecularWeight: 496.29561

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NC1=CC=CC=C1I)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)NC1=CC=CC=C1I)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H21IN2O5/c1-13(24)22-18(14-7-9-15(27-2)10-8-14)11-20(26)28-12-19(25)23-17-6-4-3-5-16(17)21/h3-10,18H,11-12H2,1-2H3,(H,22,24)(H,23,25)