(4-nitrophenyl)methyl 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: (4-nitrophenyl)methyl 3-(1-adamantylcarbonylamino)propanoate Openeye Name: (4-nitrophenyl)methyl 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid (4-nitrobenzyl) ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O5/c24-19(28-13-14-1-3-18(4-2-14)23(26)27)5-6-22-20(25)21-10-15-7-16(11-21)9-17(8-15)12-21/h1-4,15-17H,5-13H2,(H,22,25)