CAS RN: 5023-46-1
CAS Name: 2-(4-chlorophenoxy)acetic acid 1-(dimethylamino)propan-2-yl ester
OPENEYE Name: [2-(dimethylamino)-1-methyl-ethyl] 2-(4-chlorophenoxy)acetate
IUPAC Name: 1-(dimethylamino)propan-2-yl 2-(4-chlorophenoxy)acetate
SYSTEMATIC NAME: 1-(dimethylamino)propan-2-yl 2-(4-chloranylphenoxy)ethanoate
MOLECULAR FORMULA: C13H18ClNO3
MOLECULAR WEIGHT: 271.73992
SMILES: CC(CN(C)C)OC(=O)COC1=CC=C(C=C1)Cl
Structure:
CAS RN: 5017-79-8
CAS Name: (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(1-piperidinyl)oxane-3,4,5-triol
OPENEYE Name: (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(1-piperidyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3S,4S,5R)-2-(hydroxymethyl)-6-piperidin-1-yloxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R)-2-(hydroxymethyl)-6-piperidin-1-yl-oxane-3,4,5-triol
MOLECULAR FORMULA: C11H21NO5
MOLECULAR WEIGHT: 247.28814
SMILES: C1CCN(CC1)C2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 5009-09-6
CAS Name: N-(1-cyanocyclopentyl)acetamide
OPENEYE Name: N-(1-cyanocyclopentyl)acetamide
IUPAC Name: N-(1-cyanocyclopentyl)acetamide
SYSTEMATIC NAME: N-(1-cyanocyclopentyl)ethanamide
MOLECULAR FORMULA: C8H12N2O
MOLECULAR WEIGHT: 152.19368
SMILES: CC(=O)NC1(CCCC1)C#N
Structure:
CAS RN: 5009-07-4
CAS Name: N-(1-cyano-1-phenylpropyl)acetamide
OPENEYE Name: N-(1-cyano-1-phenyl-propyl)acetamide
IUPAC Name: N-(1-cyano-1-phenylpropyl)acetamide
SYSTEMATIC NAME: N-(1-cyano-1-phenyl-propyl)ethanamide
MOLECULAR FORMULA: C12H14N2O
MOLECULAR WEIGHT: 202.25236
SMILES: CCC(C#N)(C1=CC=CC=C1)NC(=O)C
Structure:
CAS RN: 5005-73-2
CAS Name: 1-(cyclohexylmethyl)piperidine; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid
OPENEYE Name: 1-(cyclohexylmethyl)piperidine; (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonic acid
IUPAC Name: 1-(cyclohexylmethyl)piperidine; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid
SYSTEMATIC NAME: 1-(cyclohexylmethyl)piperidine; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid
MOLECULAR FORMULA: C22H39NO4S
MOLECULAR WEIGHT: 413.61436
SMILES: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C.C1CCC(CC1)CN2CCCCC2
Structure:
CAS RN: 5005-28-7
CAS Name: cyclohexyl-(2,6-dimethyl-1-piperidinyl)methanone
OPENEYE Name: cyclohexyl-(2,6-dimethyl-1-piperidyl)methanone
IUPAC Name: cyclohexyl-(2,6-dimethylpiperidin-1-yl)methanone
SYSTEMATIC NAME: cyclohexyl-(2,6-dimethylpiperidin-1-yl)methanone
MOLECULAR FORMULA: C14H25NO
MOLECULAR WEIGHT: 223.3544
SMILES: CC1CCCC(N1C(=O)C2CCCCC2)C
Structure:
CAS RN: 5005-21-0
CAS Name: 1-(cyclohexylmethyl)pyrrolidine hydrochloride
OPENEYE Name: 1-(cyclohexylmethyl)pyrrolidine hydrochloride
IUPAC Name: 1-(cyclohexylmethyl)pyrrolidine hydrochloride
SYSTEMATIC NAME: 1-(cyclohexylmethyl)pyrrolidine hydrochloride
MOLECULAR FORMULA: C11H22ClN
MOLECULAR WEIGHT: 203.75208
SMILES: C1CCC(CC1)CN2CCCC2.Cl
Structure:
CAS RN: 4980-02-3
CAS Name: 2-[bis(methylthio)phosphinothioylthio]-N,N-diethylethanamine; oxalic acid
OPENEYE Name: 2-bis(methylsulfanyl)phosphinothioylsulfanyl-N,N-diethyl-ethanamine; oxalic acid
IUPAC Name: 2-bis(methylsulfanyl)phosphinothioylsulfanyl-N,N-diethylethanamine; oxalic acid
SYSTEMATIC NAME: 2-bis(methylsulfanyl)phosphinothioylsulfanyl-N,N-diethyl-ethanamine; ethanedioic acid
MOLECULAR FORMULA: C10H22NO4PS4
MOLECULAR WEIGHT: 379.519741
SMILES: CCN(CC)CCSP(=S)(SC)SC.C(=O)(C(=O)O)O
Structure:
CAS RN: 4974-76-9
CAS Name: 2-[4-(trifluoromethylsulfonyl)anilino]benzoic acid
OPENEYE Name: 2-[4-(trifluoromethylsulfonyl)anilino]benzoic acid
IUPAC Name: 2-[4-(trifluoromethylsulfonyl)anilino]benzoic acid
SYSTEMATIC NAME: 2-[[4-(trifluoromethylsulfonyl)phenyl]amino]benzoic acid
MOLECULAR FORMULA: C14H10F3NO4S
MOLECULAR WEIGHT: 345.29371
SMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)S(=O)(=O)C(F)(F)F
Structure:
CAS RN: 4972-36-5
CAS Name: 1-diethoxyphosphorylpiperidine
OPENEYE Name: 1-diethoxyphosphorylpiperidine
IUPAC Name: 1-diethoxyphosphorylpiperidine
SYSTEMATIC NAME: 1-diethoxyphosphorylpiperidine
MOLECULAR FORMULA: C9H20NO3P
MOLECULAR WEIGHT: 221.233761
SMILES: CCOP(=O)(N1CCCCC1)OCC
Structure:
CAS RN: 4956-86-9
CAS Name: 2-[5-(4-amino-2-propoxyphenoxy)pentyl]isoindole-1,3-dione
OPENEYE Name: 2-[5-(4-amino-2-propoxy-phenoxy)pentyl]isoindoline-1,3-dione
IUPAC Name: 2-[5-(4-amino-2-propoxyphenoxy)pentyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[5-(4-azanyl-2-propoxy-phenoxy)pentyl]isoindole-1,3-dione
MOLECULAR FORMULA: C22H26N2O4
MOLECULAR WEIGHT: 382.45284
SMILES: CCCOC1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 4956-14-3
CAS Name: propanoic acid (1-methyl-1-oxido-4-phenyl-4-piperidin-1-iumyl) ester hydrochloride
OPENEYE Name: (1-methyl-1-oxido-4-phenyl-piperidin-1-ium-4-yl) propanoate hydrochloride
IUPAC Name: (1-methyl-1-oxido-4-phenylpiperidin-1-ium-4-yl) propanoate hydrochloride
SYSTEMATIC NAME: (1-methyl-1-oxidanidyl-4-phenyl-piperidin-1-ium-4-yl) propanoate hydrochloride
MOLECULAR FORMULA: C15H22ClNO3
MOLECULAR WEIGHT: 299.79308
SMILES: CCC(=O)OC1(CC[N+](CC1)(C)[O-])C2=CC=CC=C2.Cl
Structure:
CAS RN: 4956-12-1
CAS Name: 6-(4-morpholinyl)-2H-1,2,4-triazine-3,5-dione
OPENEYE Name: 6-morpholino-2H-1,2,4-triazine-3,5-dione
IUPAC Name: 6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione
SYSTEMATIC NAME: 6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione
MOLECULAR FORMULA: C7H10N4O3
MOLECULAR WEIGHT: 198.1793
SMILES: C1COCCN1C2=NNC(=O)NC2=O
Structure:
CAS RN: 4956-07-4
CAS Name: 6-(phenylmethylthio)-2H-1,2,4-triazine-3,5-dione
OPENEYE Name: 6-benzylsulfanyl-2H-1,2,4-triazine-3,5-dione
IUPAC Name: 6-benzylsulfanyl-2H-1,2,4-triazine-3,5-dione
SYSTEMATIC NAME: 6-(phenylmethylsulfanyl)-2H-1,2,4-triazine-3,5-dione
MOLECULAR FORMULA: C10H9N3O2S
MOLECULAR WEIGHT: 235.26236
SMILES: C1=CC=C(C=C1)CSC2=NNC(=O)NC2=O
Structure:
CAS RN: 4951-31-9
CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-(1,3-dioxo-2-isoindolyl)acetamide
OPENEYE Name: N-(2-benzoyl-4-chloro-phenyl)-2-(1,3-dioxoisoindolin-2-yl)acetamide
IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]ethanamide
MOLECULAR FORMULA: C23H15ClN2O4
MOLECULAR WEIGHT: 418.8292
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 6045-23-4
CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-(1,3-dioxo-2-isoindolyl)acetamide
OPENEYE Name: N-(2-benzoyl-4-chloro-phenyl)-2-(1,3-dioxoisoindolin-2-yl)acetamide
IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]ethanamide
MOLECULAR FORMULA: C23H15ClN2O4
MOLECULAR WEIGHT: 418.8292
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 4940-13-0
CAS Name: 3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-pyranone
OPENEYE Name: 3-hydroxy-2-(1-hydroxy-2-methyl-propyl)pyran-4-one
IUPAC Name: 3-hydroxy-2-(1-hydroxy-2-methylpropyl)pyran-4-one
SYSTEMATIC NAME: 2-(2-methyl-1-oxidanyl-propyl)-3-oxidanyl-pyran-4-one
MOLECULAR FORMULA: C9H12O4
MOLECULAR WEIGHT: 184.18918
SMILES: CC(C)C(C1=C(C(=O)C=CO1)O)O
Structure:
CAS RN: 4936-68-9
CAS Name: 2-[bis(methylthio)phosphinothioylthio]ethyl-diethyl-methylammonium bromide
OPENEYE Name: 2-bis(methylsulfanyl)phosphinothioylsulfanylethyl-diethyl-methyl-ammonium bromide
IUPAC Name: 2-bis(methylsulfanyl)phosphinothioylsulfanylethyl-diethyl-methylazanium bromide
SYSTEMATIC NAME: 2-bis(methylsulfanyl)phosphinothioylsulfanylethyl-diethyl-methyl-azanium bromide
MOLECULAR FORMULA: C9H23BrNPS4
MOLECULAR WEIGHT: 384.423381
SMILES: CC[N+](C)(CC)CCSP(=S)(SC)SC.[Br-]
Structure:
CAS RN: 4932-15-4
CAS Name: 2,6-ditert-butyl-4-[[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-methylamino]methyl]phenol
OPENEYE Name: 2,6-ditert-butyl-4-[[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl-methyl-amino]methyl]phenol
IUPAC Name: 2,6-ditert-butyl-4-[[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-methylamino]methyl]phenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-[[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-methyl-amino]methyl]phenol
MOLECULAR FORMULA: C31H49NO2
MOLECULAR WEIGHT: 467.72626
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(C)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
Structure:
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