cyclohexyl 2-[4-(diethylamino)phenyl]-2-oxidanyl-hex-4-ynoate

Systemtic Name: cyclohexyl 2-[4-(diethylamino)phenyl]-2-oxidanyl-hex-4-ynoate Openeye Name: cyclohexyl 2-[4-(diethylamino)phenyl]-2-hydroxy-hex-4-ynoate CAS Name: 2-[4-(diethylamino)phenyl]-2-hydroxy-4-hexynoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[4-(diethylamino)phenyl]-2-hydroxyhex-4-ynoate Traditional Name: 2-[4-(diethylamino)phenyl]-2-hydroxy-hex-4-ynoic acid cyclohexyl ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(CC#CC)(C(=O)OC2CCCCC2)O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(CC#CC)(C(=O)OC2CCCCC2)O

InChI

InChI=1S/C22H31NO3/c1-4-7-17-22(25,21(24)26-20-11-9-8-10-12-20)18-13-15-19(16-14-18)23(5-2)6-3/h13-16,20,25H,5-6,8-12,17H2,1-3H3