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

Systemtic Name: (4-nitrophenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (4-nitrophenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (4-nitrobenzyl) ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c25-19(29-13-14-1-3-18(4-2-14)24(27)28)5-6-22-20(26)23-21-10-15-7-16(11-21)9-17(8-15)12-21/h1-4,15-17H,5-13H2,(H2,22,23,26)