ethyl 4-methyl-2-[2-(2-oxidanylideneazepan-1-yl)ethanoyloxymethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-(2-oxidanylideneazepan-1-yl)ethanoyloxymethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-(2-oxo-1-azepanyl)ethoxy]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate Traditional Name: 2-[[2-(2-ketoazepan-1-yl)acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CN3CCCCCC3=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CN3CCCCCC3=O)C

InChI

InChI=1S/C22H26N2O5/c1-3-28-22(27)21-15(2)16-9-6-7-10-17(16)23-18(21)14-29-20(26)13-24-12-8-4-5-11-19(24)25/h6-7,9-10H,3-5,8,11-14H2,1-2H3