3,3-dimethyl-1-morpholin-4-yl-5-[5-(6-phenylhexyl)thiophen-2-yl]pentan-1-one

Systemtic Name: 3,3-dimethyl-1-morpholin-4-yl-5-[5-(6-phenylhexyl)thiophen-2-yl]pentan-1-one Openeye Name: 3,3-dimethyl-1-morpholino-5-[5-(6-phenylhexyl)-2-thienyl]pentan-1-one CAS Name: 3,3-dimethyl-1-(4-morpholinyl)-5-[5-(6-phenylhexyl)-2-thiophenyl]-1-pentanone IUPAC Name: 3,3-dimethyl-1-morpholin-4-yl-5-[5-(6-phenylhexyl)thiophen-2-yl]pentan-1-one Traditional Name: 3,3-dimethyl-1-morpholino-5-[5-(6-phenylhexyl)-2-thienyl]pentan-1-one Formula: C27H39NO2S MolecularWeight: 441.66906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=CC=C(S1)CCCCCCC2=CC=CC=C2)CC(=O)N3CCOCC3

Isomeric SMILES

CC(C)(CCC1=CC=C(S1)CCCCCCC2=CC=CC=C2)CC(=O)N3CCOCC3

InChI

InChI=1S/C27H39NO2S/c1-27(2,22-26(29)28-18-20-30-21-19-28)17-16-25-15-14-24(31-25)13-9-4-3-6-10-23-11-7-5-8-12-23/h5,7-8,11-12,14-15H,3-4,6,9-10,13,16-22H2,1-2H3