[2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(2-iodoanilino)-2-oxo-ethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [2-(2-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-iodoanilino)-2-oxoethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid [2-(2-iodoanilino)-2-keto-ethyl] ester Formula: C21H23IN2O4 MolecularWeight: 494.32279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC2=CC=CC=C2I

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC2=CC=CC=C2I

InChI

InChI=1S/C21H23IN2O4/c1-13(2)19(24-20(26)15-8-6-7-14(3)11-15)21(27)28-12-18(25)23-17-10-5-4-9-16(17)22/h4-11,13,19H,12H2,1-3H3,(H,23,25)(H,24,26)