butyl 1-[2-(methylaminomethyl)phenyl]-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: butyl 1-[2-(methylaminomethyl)phenyl]-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: butyl 1-[2-(methylaminomethyl)phenyl]-2-oxo-cyclohexanecarboxylate CAS Name: 1-[2-(methylaminomethyl)phenyl]-2-oxo-1-cyclohexanecarboxylic acid butyl ester IUPAC Name: butyl 1-[2-(methylaminomethyl)phenyl]-2-oxocyclohexane-1-carboxylate Traditional Name: 2-keto-1-[2-(methylaminomethyl)phenyl]cyclohexanecarboxylic acid butyl ester Formula: C19H27NO3 MolecularWeight: 317.42258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1(CCCCC1=O)C2=CC=CC=C2CNC

Isomeric SMILES

CCCCOC(=O)C1(CCCCC1=O)C2=CC=CC=C2CNC

InChI

InChI=1S/C19H27NO3/c1-3-4-13-23-18(22)19(12-8-7-11-17(19)21)16-10-6-5-9-15(16)14-20-2/h5-6,9-10,20H,3-4,7-8,11-14H2,1-2H3