propan-2-yl (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(3-iodanylpyridin-4-yl)amino]propanoate

Systemtic Name: propan-2-yl (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(3-iodanylpyridin-4-yl)amino]propanoate Openeye Name: isopropyl (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(3-iodo-4-pyridyl)amino]propanoate CAS Name: (2S)-3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[(3-iodo-4-pyridinyl)amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(3-iodopyridin-4-yl)amino]propanoate Traditional Name: (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(3-iodo-4-pyridyl)amino]propionic acid isopropyl ester Formula: C20H24IN3O4 MolecularWeight: 497.32673

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N(C)C)NC2=C(C=NC=C2)I

Isomeric SMILES

CC(C)OC(=O)[C@H](CC1=CC=C(C=C1)OC(=O)N(C)C)NC2=C(C=NC=C2)I

InChI

InChI=1S/C20H24IN3O4/c1-13(2)27-19(25)18(23-17-9-10-22-12-16(17)21)11-14-5-7-15(8-6-14)28-20(26)24(3)4/h5-10,12-13,18H,11H2,1-4H3,(H,22,23)/t18-/m0/s1