(4-nitrophenyl)methyl 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (4-nitrophenyl)methyl 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (4-nitrophenyl)methyl 2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propionic acid (4-nitrobenzyl) ester Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O6/c1-23(2,3)32-22(28)25-20(12-16-13-24-19-7-5-4-6-18(16)19)21(27)31-14-15-8-10-17(11-9-15)26(29)30/h4-11,13,20,24H,12,14H2,1-3H3,(H,25,28)