(2-methylpropan-2-yl)oxymethanimidate; [1-(phenylmethyl)indol-1-ium-1-yl] 2-(phenylcarbonyl)butanoate

Systemtic Name: (2-methylpropan-2-yl)oxymethanimidate; [1-(phenylmethyl)indol-1-ium-1-yl] 2-(phenylcarbonyl)butanoate Openeye Name: (1-benzylindol-1-ium-1-yl) 2-benzoylbutanoate; tert-butoxymethanimidate CAS Name: 2-benzoylbutanoic acid [1-(phenylmethyl)-1-indol-1-iumyl] ester; (2-methylpropan-2-yl)oxymethanimidate IUPAC Name: (1-benzylindol-1-ium-1-yl) 2-benzoylbutanoate; (2-methylpropan-2-yl)oxymethanimidate Traditional Name: 2-benzoylbutyric acid (1-benzylindol-1-ium-1-yl) ester; tert-butoxyformimidate Formula: C31H34N2O5 MolecularWeight: 514.61206

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)C(=O)O[N+]2(C=CC3=CC=CC=C32)CC4=CC=CC=C4.CC(C)(C)OC(=N)[O-]

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)C(=O)O[N+]2(C=CC3=CC=CC=C32)CC4=CC=CC=C4.CC(C)(C)OC(=N)[O-]

InChI

InChI=1S/C26H24NO3.C5H11NO2/c1-2-23(25(28)22-14-7-4-8-15-22)26(29)30-27(19-20-11-5-3-6-12-20)18-17-21-13-9-10-16-24(21)27;1-5(2,3)8-4(6)7/h3-18,23H,2,19H2,1H3;1-3H3,(H2,6,7)/q+1;/p-1