(4-nitrophenyl)methyl (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (4-nitrophenyl)methyl (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: (4-nitrophenyl)methyl (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid (4-nitrobenzyl) ester Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H30N2O5/c1-14(2)20(21(26)30-13-15-3-5-19(6-4-15)25(28)29)24-22(27)23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,14,16-18,20H,7-13H2,1-2H3,(H,24,27)/t16?,17?,18?,20-,23?/m1/s1