[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H26N2O5 MolecularWeight: 350.40944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC=CO2

InChI

InChI=1S/C18H26N2O5/c1-13(2)16(19-17(22)14-8-7-11-24-14)18(23)25-12-15(21)20-9-5-3-4-6-10-20/h7-8,11,13,16H,3-6,9-10,12H2,1-2H3,(H,19,22)