methyl (2S)-2-[1-(4-iodophenyl)ethylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[1-(4-iodophenyl)ethylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[1-(4-iodophenyl)ethylamino]-3-methyl-butanoate CAS Name: (2S)-2-[1-(4-iodophenyl)ethylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[1-(4-iodophenyl)ethylamino]-3-methylbutanoate Traditional Name: (2S)-2-[1-(4-iodophenyl)ethylamino]-3-methyl-butyric acid methyl ester Formula: C14H20INO2 MolecularWeight: 361.21857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(C)C1=CC=C(C=C1)I

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(C)C1=CC=C(C=C1)I

InChI

InChI=1S/C14H20INO2/c1-9(2)13(14(17)18-4)16-10(3)11-5-7-12(15)8-6-11/h5-10,13,16H,1-4H3/t10?,13-/m0/s1