methyl (2R)-3-[2,3-bis(bromanyl)-1H-indol-5-yl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2R)-3-[2,3-bis(bromanyl)-1H-indol-5-yl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2R)-2-(benzyloxycarbonylamino)-3-(2,3-dibromo-1H-indol-5-yl)propanoate CAS Name: (2R)-3-(2,3-dibromo-1H-indol-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(2,3-dibromo-1H-indol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2R)-2-(benzyloxycarbonylamino)-3-(2,3-dibromo-1H-indol-5-yl)propionic acid methyl ester Formula: C20H18Br2N2O4 MolecularWeight: 510.17592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=C(C=C1)NC(=C2Br)Br)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H](CC1=CC2=C(C=C1)NC(=C2Br)Br)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H18Br2N2O4/c1-27-19(25)16(24-20(26)28-11-12-5-3-2-4-6-12)10-13-7-8-15-14(9-13)17(21)18(22)23-15/h2-9,16,23H,10-11H2,1H3,(H,24,26)/t16-/m1/s1