[(1R)-1-(3-nitrophenyl)ethyl] 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-(1-adamantylcarbonylamino)propanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-14(18-3-2-4-19(10-18)24(27)28)29-20(25)5-6-23-21(26)22-11-15-7-16(12-22)9-17(8-15)13-22/h2-4,10,14-17H,5-9,11-13H2,1H3,(H,23,26)/t14-,15?,16?,17?,22?/m1/s1