[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenoxy)propanoate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenoxy)propanoate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 3-(4-tert-butylphenoxy)propanoate CAS Name: 3-(4-tert-butylphenoxy)propanoic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate Traditional Name: 3-(4-tert-butylphenoxy)propionic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C21H24INO4 MolecularWeight: 481.32403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC=C(C=C2)I

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C21H24INO4/c1-21(2,3)15-4-10-18(11-5-15)26-13-12-20(25)27-14-19(24)23-17-8-6-16(22)7-9-17/h4-11H,12-14H2,1-3H3,(H,23,24)