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

Systemtic Name: methyl (3S)-3-[(4-bromophenyl)carbonylamino]-4-iodanyl-butanoate Openeye Name: methyl (3S)-3-[(4-bromobenzoyl)amino]-4-iodo-butanoate CAS Name: (3S)-3-[[(4-bromophenyl)-oxomethyl]amino]-4-iodobutanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(4-bromobenzoyl)amino]-4-iodobutanoate Traditional Name: (3S)-3-[(4-bromobenzoyl)amino]-4-iodo-butyric acid methyl ester Formula: C12H13BrINO3 MolecularWeight: 426.04499

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CI)NC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrINO3/c1-18-11(16)6-10(7-14)15-12(17)8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3,(H,15,17)/t10-/m0/s1