dimethyl 1-cyano-4-morpholin-4-yl-3,3a,8,8a-tetrahydroazulene-5,6-dicarboxylate

Systemtic Name: dimethyl 1-cyano-4-morpholin-4-yl-3,3a,8,8a-tetrahydroazulene-5,6-dicarboxylate Openeye Name: dimethyl 1-cyano-4-morpholino-3,3a,8,8a-tetrahydroazulene-5,6-dicarboxylate CAS Name: 1-cyano-4-(4-morpholinyl)-3,3a,8,8a-tetrahydroazulene-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-cyano-4-morpholin-4-yl-3,3a,8,8a-tetrahydroazulene-5,6-dicarboxylate Traditional Name: 1-cyano-4-morpholino-3,3a,8,8a-tetrahydroazulene-5,6-dicarboxylic acid dimethyl ester Formula: C19H22N2O5 MolecularWeight: 358.38838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CCC2C(CC=C2C#N)C(=C1C(=O)OC)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CCC2C(CC=C2C#N)C(=C1C(=O)OC)N3CCOCC3

InChI

InChI=1S/C19H22N2O5/c1-24-18(22)15-6-5-13-12(11-20)3-4-14(13)17(16(15)19(23)25-2)21-7-9-26-10-8-21/h3,6,13-14H,4-5,7-10H2,1-2H3