(2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(5-benzyloxy-1H-indol-3-yl)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)acetate CAS Name: (2S)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(5-benzoxy-1H-indol-3-yl)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)acetate Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)[C@@H](C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C26H31N3O5/c1-26(2,3)34-25(32)29-13-11-28(12-14-29)23(24(30)31)21-16-27-22-10-9-19(15-20(21)22)33-17-18-7-5-4-6-8-18/h4-10,15-16,23,27H,11-14,17H2,1-3H3,(H,30,31)/t23-/m0/s1