[5-nitro-1-(phenylmethyl)-2,3-dihydroindol-2-yl]methyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: [5-nitro-1-(phenylmethyl)-2,3-dihydroindol-2-yl]methyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: (1-benzyl-5-nitro-indolin-2-yl)methyl 2-(tert-butoxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [5-nitro-1-(phenylmethyl)-2,3-dihydroindol-2-yl]methyl ester IUPAC Name: (1-benzyl-5-nitro-2,3-dihydroindol-2-yl)methyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-methyl-butyric acid (1-benzyl-5-nitro-indolin-2-yl)methyl ester Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1CC2=C(N1CC3=CC=CC=C3)C=CC(=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)OCC1CC2=C(N1CC3=CC=CC=C3)C=CC(=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H33N3O6/c1-17(2)23(27-25(31)35-26(3,4)5)24(30)34-16-21-14-19-13-20(29(32)33)11-12-22(19)28(21)15-18-9-7-6-8-10-18/h6-13,17,21,23H,14-16H2,1-5H3,(H,27,31)