methyl (2R)-3-(6-iodanyl-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2R)-3-(6-iodanyl-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2R)-2-(benzyloxycarbonylamino)-3-(6-iodo-1H-indol-3-yl)propanoate CAS Name: (2R)-3-(6-iodo-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(6-iodo-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2R)-2-(benzyloxycarbonylamino)-3-(6-iodo-1H-indol-3-yl)propionic acid methyl ester Formula: C20H19IN2O4 MolecularWeight: 478.28033

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=C1C=CC(=C2)I)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=C1C=CC(=C2)I)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H19IN2O4/c1-26-19(24)18(23-20(25)27-12-13-5-3-2-4-6-13)9-14-11-22-17-10-15(21)7-8-16(14)17/h2-8,10-11,18,22H,9,12H2,1H3,(H,23,25)/t18-/m1/s1