but-2-ynyl 2-(diethylamino)-2-oxidanyl-2-(1-phenylcyclohexyl)ethanoate

Systemtic Name: but-2-ynyl 2-(diethylamino)-2-oxidanyl-2-(1-phenylcyclohexyl)ethanoate Openeye Name: but-2-ynyl 2-(diethylamino)-2-hydroxy-2-(1-phenylcyclohexyl)acetate CAS Name: 2-(diethylamino)-2-hydroxy-2-(1-phenylcyclohexyl)acetic acid but-2-ynyl ester IUPAC Name: but-2-ynyl 2-(diethylamino)-2-hydroxy-2-(1-phenylcyclohexyl)acetate Traditional Name: 2-(diethylamino)-2-hydroxy-2-(1-phenylcyclohexyl)acetic acid but-2-ynyl ester Formula: C22H31NO3 MolecularWeight: 357.48644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C(=O)OCC#CC)(C1(CCCCC1)C2=CC=CC=C2)O

Isomeric SMILES

CCN(CC)C(C(=O)OCC#CC)(C1(CCCCC1)C2=CC=CC=C2)O

InChI

InChI=1S/C22H31NO3/c1-4-7-18-26-20(24)22(25,23(5-2)6-3)21(16-12-9-13-17-21)19-14-10-8-11-15-19/h8,10-11,14-15,25H,5-6,9,12-13,16-18H2,1-3H3