9H-fluoren-9-ylmethyl (2S)-3-(5-bromanyl-1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate

Systemtic Name: 9H-fluoren-9-ylmethyl (2S)-3-(5-bromanyl-1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate Openeye Name: 9H-fluoren-9-ylmethyl (2S)-3-(5-bromo-1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate CAS Name: (2S)-3-(5-bromo-1H-indol-3-yl)-2-(methoxycarbonylamino)propanoic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl (2S)-3-(5-bromo-1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate Traditional Name: (2S)-3-(5-bromo-1H-indol-3-yl)-2-(carbomethoxyamino)propionic acid 9H-fluoren-9-ylmethyl ester Formula: C27H23BrN2O4 MolecularWeight: 519.38652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(CC1=CNC2=C1C=C(C=C2)Br)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

COC(=O)N[C@@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C27H23BrN2O4/c1-33-27(32)30-25(12-16-14-29-24-11-10-17(28)13-22(16)24)26(31)34-15-23-20-8-4-2-6-18(20)19-7-3-5-9-21(19)23/h2-11,13-14,23,25,29H,12,15H2,1H3,(H,30,32)/t25-/m0/s1