tert-butyl 3-[[(3Z)-3-ethoxyimino-1-(2-oxidanylidene-6-pentyl-pyran-3-yl)carbonyl-pyrrolidin-1-ium-1-yl]carbonylamino]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[(3Z)-3-ethoxyimino-1-(2-oxidanylidene-6-pentyl-pyran-3-yl)carbonyl-pyrrolidin-1-ium-1-yl]carbonylamino]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[[(3Z)-3-ethoxyimino-1-(2-oxo-6-pentyl-pyran-3-carbonyl)pyrrolidin-1-ium-1-carbonyl]amino]azetidine-1-carboxylate CAS Name: 3-[[[(3Z)-3-ethoxyimino-1-[oxo-(2-oxo-6-pentyl-3-pyranyl)methyl]-1-pyrrolidin-1-iumyl]-oxomethyl]amino]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(3Z)-3-ethoxyimino-1-(2-oxo-6-pentylpyran-3-carbonyl)pyrrolidin-1-ium-1-carbonyl]amino]azetidine-1-carboxylate Traditional Name: 3-[[(3Z)-1-(6-amyl-2-keto-pyran-3-carbonyl)-3-ethyloximino-pyrrolidin-1-ium-1-carbonyl]amino]azetidine-1-carboxylic acid tert-butyl ester Formula: C26H39N4O7+ MolecularWeight: 519.61046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C(=O)O1)C(=O)[N+]2(CCC(=NOCC)C2)C(=O)NC3CN(C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC1=CC=C(C(=O)O1)C(=O)[N+]2(CC/C(=N/OCC)/C2)C(=O)NC3CN(C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H38N4O7/c1-6-8-9-10-20-11-12-21(23(32)36-20)22(31)30(14-13-18(17-30)28-35-7-2)24(33)27-19-15-29(16-19)25(34)37-26(3,4)5/h11-12,19H,6-10,13-17H2,1-5H3/p+1/b28-18-