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

Systemtic Name: methyl (3S)-3-[(4-cyanophenyl)carbonylamino]-4-iodanyl-butanoate Openeye Name: methyl (3S)-3-[(4-cyanobenzoyl)amino]-4-iodo-butanoate CAS Name: (3S)-3-[[(4-cyanophenyl)-oxomethyl]amino]-4-iodobutanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(4-cyanobenzoyl)amino]-4-iodobutanoate Traditional Name: (3S)-3-[(4-cyanobenzoyl)amino]-4-iodo-butyric acid methyl ester Formula: C13H13IN2O3 MolecularWeight: 372.15839

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CI)NC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

COC(=O)C[C@@H](CI)NC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C13H13IN2O3/c1-19-12(17)6-11(7-14)16-13(18)10-4-2-9(8-15)3-5-10/h2-5,11H,6-7H2,1H3,(H,16,18)/t11-/m0/s1