4-(diethylamino)but-2-ynyl 2-(6-cyclohexyl-6-oxidanyl-cyclohexa-1,3-dien-1-yl)ethanoate

Systemtic Name: 4-(diethylamino)but-2-ynyl 2-(6-cyclohexyl-6-oxidanyl-cyclohexa-1,3-dien-1-yl)ethanoate Openeye Name: 4-(diethylamino)but-2-ynyl 2-(6-cyclohexyl-6-hydroxy-cyclohexa-1,3-dien-1-yl)acetate CAS Name: 2-(6-cyclohexyl-6-hydroxy-1-cyclohexa-1,3-dienyl)acetic acid 4-(diethylamino)but-2-ynyl ester IUPAC Name: 4-(diethylamino)but-2-ynyl 2-(6-cyclohexyl-6-hydroxycyclohexa-1,3-dien-1-yl)acetate Traditional Name: 2-(6-cyclohexyl-6-hydroxy-cyclohexa-1,3-dien-1-yl)acetic acid 4-(diethylamino)but-2-ynyl ester Formula: C22H33NO3 MolecularWeight: 359.50232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCOC(=O)CC1=CC=CCC1(C2CCCCC2)O

Isomeric SMILES

CCN(CC)CC#CCOC(=O)CC1=CC=CCC1(C2CCCCC2)O

InChI

InChI=1S/C22H33NO3/c1-3-23(4-2)16-10-11-17-26-21(24)18-20-14-8-9-15-22(20,25)19-12-6-5-7-13-19/h8-9,14,19,25H,3-7,12-13,15-18H2,1-2H3