[2-[4-(nitrooxymethyl)piperidin-1-yl]-2-oxidanylidene-ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: [2-[4-(nitrooxymethyl)piperidin-1-yl]-2-oxidanylidene-ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: [2-[4-(nitrooxymethyl)-1-piperidyl]-2-oxo-ethyl] (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid [2-[4-(nitrooxymethyl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(nitrooxymethyl)piperidin-1-yl]-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid [2-keto-2-[4-(nitrooxymethyl)piperidino]ethyl] ester Formula: C22H26N2O7 MolecularWeight: 430.45104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC(=O)N3CCC(CC3)CO[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC(=O)N3CCC(CC3)CO[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O7/c1-15(17-3-4-19-12-20(29-2)6-5-18(19)11-17)22(26)30-14-21(25)23-9-7-16(8-10-23)13-31-24(27)28/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3/t15-/m0/s1