2-(azepan-1-yl)ethyl 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: 2-(azepan-1-yl)ethyl 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate Openeye Name: 2-(azepan-1-yl)ethyl 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate CAS Name: 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 2-(1-azepanyl)ethyl ester IUPAC Name: 2-(azepan-1-yl)ethyl 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate Traditional Name: 2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 2-(azepan-1-yl)ethyl ester Formula: C18H29NO4 MolecularWeight: 323.42716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(OC2=O)C(=O)OCCN3CCCCCC3)C)C

Isomeric SMILES

CC1(C2(CCC1(OC2=O)C(=O)OCCN3CCCCCC3)C)C

InChI

InChI=1S/C18H29NO4/c1-16(2)17(3)8-9-18(16,23-14(17)20)15(21)22-13-12-19-10-6-4-5-7-11-19/h4-13H2,1-3H3