[(1R)-1-(3-nitrophenyl)ethyl] 2-[2-(1-adamantyl)ethanoylamino]ethanoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic 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)CNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

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