methyl (3S)-4-iodanyl-3-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: methyl (3S)-4-iodanyl-3-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: methyl (3S)-4-iodo-3-[(4-methylbenzoyl)amino]butanoate CAS Name: (3S)-4-iodo-3-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (3S)-4-iodo-3-[(4-methylbenzoyl)amino]butanoate Traditional Name: (3S)-4-iodo-3-(p-toluoylamino)butyric acid methyl ester Formula: C13H16INO3 MolecularWeight: 361.17551

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CC(=O)OC)CI

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](CC(=O)OC)CI

InChI

InChI=1S/C13H16INO3/c1-9-3-5-10(6-4-9)13(17)15-11(8-14)7-12(16)18-2/h3-6,11H,7-8H2,1-2H3,(H,15,17)/t11-/m0/s1