(4-nitrophenyl)methyl (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: (4-nitrophenyl)methyl (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: (4-nitrophenyl)methyl (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid (4-nitrobenzyl) ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5/c1-13(19(24)28-12-14-2-4-18(5-3-14)23(26)27)22-20(25)21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,13,15-17H,6-12H2,1H3,(H,22,25)/t13-,15?,16?,17?,21?/m0/s1