Monday, June 27, 2011

http://ChemLookup.com Compounds




CAS RN: 955370-07-7
CAS Name: 2-(6-bromo-2-pyridinyl)ethanol
OPENEYE Name: 2-(6-bromo-2-pyridyl)ethanol
IUPAC Name: 2-(6-bromopyridin-2-yl)ethanol
SYSTEMATIC NAME: 2-(6-bromanylpyridin-2-yl)ethanol
MOLECULAR FORMULA: C7H8BrNO
MOLECULAR WEIGHT: 202.04852
SMILES: C1=CC(=NC(=C1)Br)CCO

CAS RN: 1223748-30-8
CAS Name: (2-methyl-4-pyridinyl)methylhydrazine
OPENEYE Name: (2-methyl-4-pyridyl)methylhydrazine
IUPAC Name: (2-methylpyridin-4-yl)methylhydrazine
SYSTEMATIC NAME: (2-methylpyridin-4-yl)methyldiazane
MOLECULAR FORMULA: C7H11N3
MOLECULAR WEIGHT: 137.18234
SMILES: CC1=NC=CC(=C1)CNN

CAS RN: 853909-08-7
CAS Name: 5-ethynyl-2-fluoropyridine
OPENEYE Name: 5-ethynyl-2-fluoro-pyridine
IUPAC Name: 5-ethynyl-2-fluoropyridine
SYSTEMATIC NAME: 5-ethynyl-2-fluoranyl-pyridine
MOLECULAR FORMULA: C7H4FN
MOLECULAR WEIGHT: 121.111763
SMILES: C#CC1=CN=C(C=C1)F

CAS RN: 1223748-35-3
CAS Name: 5-bromo-6-iodo-2-pyridinamine
OPENEYE Name: 5-bromo-6-iodo-pyridin-2-amine
IUPAC Name: 5-bromo-6-iodopyridin-2-amine
SYSTEMATIC NAME: 5-bromanyl-6-iodanyl-pyridin-2-amine
MOLECULAR FORMULA: C5H4BrIN2
MOLECULAR WEIGHT: 298.90713
SMILES: C1=CC(=NC(=C1Br)I)N

CAS RN: 1223748-36-4
CAS Name: 4-chloro-6-propan-2-yloxyquinazoline
OPENEYE Name: 4-chloro-6-isopropoxy-quinazoline
IUPAC Name: 4-chloro-6-propan-2-yloxyquinazoline
SYSTEMATIC NAME: 4-chloranyl-6-propan-2-yloxy-quinazoline
MOLECULAR FORMULA: C11H11ClN2O
MOLECULAR WEIGHT: 222.67084
SMILES: CC(C)OC1=CC2=C(C=C1)N=CN=C2Cl

CAS RN: 1217269-81-2
CAS Name: 2-chloro-8-quinazolinecarboxylic acid methyl ester
OPENEYE Name: methyl 2-chloroquinazoline-8-carboxylate
IUPAC Name: methyl 2-chloroquinazoline-8-carboxylate
SYSTEMATIC NAME: methyl 2-chloranylquinazoline-8-carboxylate
MOLECULAR FORMULA: C10H7ClN2O2
MOLECULAR WEIGHT: 222.62778
SMILES: COC(=O)C1=CC=CC2=CN=C(N=C21)Cl

CAS RN: 1009036-29-6
CAS Name: 7-fluoro-4-quinazolinamine
OPENEYE Name: 7-fluoroquinazolin-4-amine
IUPAC Name: 7-fluoroquinazolin-4-amine
SYSTEMATIC NAME: 7-fluoranylquinazolin-4-amine
MOLECULAR FORMULA: C8H6FN3
MOLECULAR WEIGHT: 163.151743
SMILES: C1=CC2=C(C=C1F)N=CN=C2N

CAS RN: 1190320-08-1
CAS Name: 6-fluoro-4-quinazolinamine
OPENEYE Name: 6-fluoroquinazolin-4-amine
IUPAC Name: 6-fluoroquinazolin-4-amine
SYSTEMATIC NAME: 6-fluoranylquinazolin-4-amine
MOLECULAR FORMULA: C8H6FN3
MOLECULAR WEIGHT: 163.151743
SMILES: C1=CC2=C(C=C1F)C(=NC=N2)N

CAS RN: 885277-76-9
CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-phenyl-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-tert-butoxycarbonyl-5-phenyl-pyrrolidine-3-carboxylic acid
IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: CC(C)(C)OC(=O)N1CC(CC1C2=CC=CC=C2)C(=O)O

CAS RN: 444193-01-5
CAS Name: 2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethanol
OPENEYE Name: 2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethanol
IUPAC Name: 2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethanol
SYSTEMATIC NAME: 2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethanol
MOLECULAR FORMULA: C8H15NO
MOLECULAR WEIGHT: 141.2108
SMILES: C1CC2CNCC2(C1)CO

CAS RN: 1223748-37-5
CAS Name: 3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
IUPAC Name: tert-butyl 3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
SYSTEMATIC NAME: tert-butyl 3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
MOLECULAR FORMULA: C13H23NO3
MOLECULAR WEIGHT: 241.32662
SMILES: CC(C)(C)OC(=O)N1CC2CCCC2(C1)CO

CAS RN: 848616-45-5
CAS Name: [(2R)-1-(hydroxymethyl)-2-pyrrolidinyl]methanol
OPENEYE Name: [(2R)-1-(hydroxymethyl)pyrrolidin-2-yl]methanol
IUPAC Name: [(2R)-1-(hydroxymethyl)pyrrolidin-2-yl]methanol
SYSTEMATIC NAME: [(2R)-1-(hydroxymethyl)pyrrolidin-2-yl]methanol
MOLECULAR FORMULA: C6H13NO2
MOLECULAR WEIGHT: 131.17292
SMILES: C1C[C@@H](N(C1)CO)CO

CAS RN: 1223748-42-2
CAS Name: 1-cyclobutyl-5-oxo-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-cyclobutyl-5-oxo-pyrrolidine-3-carboxylic acid
IUPAC Name: 1-cyclobutyl-5-oxopyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-cyclobutyl-5-oxidanylidene-pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C9H13NO3
MOLECULAR WEIGHT: 183.20442
SMILES: C1CC(C1)N2CC(CC2=O)C(=O)O

CAS RN: 945723-36-4
CAS Name: [(3R,4R)-4-methyl-3-pyrrolidinyl]methanol
OPENEYE Name: [(3R,4R)-4-methylpyrrolidin-3-yl]methanol
IUPAC Name: [(3R,4R)-4-methylpyrrolidin-3-yl]methanol
SYSTEMATIC NAME: [(3R,4R)-4-methylpyrrolidin-3-yl]methanol
MOLECULAR FORMULA: C6H13NO
MOLECULAR WEIGHT: 115.17352
SMILES: C[C@H]1CNC[C@@H]1CO

CAS RN: 99735-47-4
CAS Name: [1-[(1R)-1-phenylethyl]-3-pyrrolidinyl]methanol
OPENEYE Name: [1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methanol
IUPAC Name: [1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methanol
SYSTEMATIC NAME: [1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methanol
MOLECULAR FORMULA: C13H19NO
MOLECULAR WEIGHT: 205.29606
SMILES: C[C@H](C1=CC=CC=C1)N2CCC(C2)CO

CAS RN: 109960-55-6
CAS Name: [1-[(1R)-1-phenylethyl]-3-pyrrolidinyl]methanol
OPENEYE Name: [1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methanol
IUPAC Name: [1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methanol
SYSTEMATIC NAME: [1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methanol
MOLECULAR FORMULA: C13H19NO
MOLECULAR WEIGHT: 205.29606
SMILES: C[C@H](C1=CC=CC=C1)N2CCC(C2)CO

CAS RN: 896103-62-1
CAS Name: 4-[2-(methylamino)ethyl]-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-[2-(methylamino)ethyl]piperidine-1-carboxylate
IUPAC Name: tert-butyl 4-[2-(methylamino)ethyl]piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[2-(methylamino)ethyl]piperidine-1-carboxylate
MOLECULAR FORMULA: C13H26N2O2
MOLECULAR WEIGHT: 242.35774
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CCNC

CAS RN: 198646-60-5
CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-oxo-2-piperidinecarboxylic acid
OPENEYE Name: 1-tert-butoxycarbonyl-4-oxo-piperidine-2-carboxylic acid
IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanylidene-piperidine-2-carboxylic acid
MOLECULAR FORMULA: C11H17NO5
MOLECULAR WEIGHT: 243.25638
SMILES: CC(C)(C)OC(=O)N1CCC(=O)CC1C(=O)O

CAS RN: 879514-21-3
CAS Name: 8-(nitromethyl)-1,4-dioxaspiro[4.5]decan-8-ol
OPENEYE Name: 8-(nitromethyl)-1,4-dioxaspiro[4.5]decan-8-ol
IUPAC Name: 8-(nitromethyl)-1,4-dioxaspiro[4.5]decan-8-ol
SYSTEMATIC NAME: 8-(nitromethyl)-1,4-dioxaspiro[4.5]decan-8-ol
MOLECULAR FORMULA: C9H15NO5
MOLECULAR WEIGHT: 217.2191
SMILES: C1CC2(CCC1(C[N+](=O)[O-])O)OCCO2

CAS RN: 1072502-05-6
CAS Name: 3-hydroxy-1-piperidinecarboxylic acid 9H-fluoren-9-ylmethyl ester
OPENEYE Name: 9H-fluoren-9-ylmethyl 3-hydroxypiperidine-1-carboxylate
IUPAC Name: 9H-fluoren-9-ylmethyl 3-hydroxypiperidine-1-carboxylate
SYSTEMATIC NAME: 9H-fluoren-9-ylmethyl 3-oxidanylpiperidine-1-carboxylate
MOLECULAR FORMULA: C20H21NO3
MOLECULAR WEIGHT: 323.38564
SMILES: C1CC(CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O

CAS RN: 127-40-2
CAS Name: 4-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-3-enol
OPENEYE Name: 4-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol
IUPAC Name: 4-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
SYSTEMATIC NAME: 3,5,5-trimethyl-4-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
MOLECULAR FORMULA: C40H56O2
MOLECULAR WEIGHT: 568.87144
SMILES: CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2C(=CC(CC2(C)C)O)C)/C)/C

CAS RN: 696-60-6
CAS Name: (4-hydroxyphenyl)methylammonium bromide
OPENEYE Name: (4-hydroxyphenyl)methylammonium bromide
IUPAC Name: (4-hydroxyphenyl)methylazanium bromide
SYSTEMATIC NAME: (4-hydroxyphenyl)methylazanium bromide
MOLECULAR FORMULA: C7H10BrNO
MOLECULAR WEIGHT: 204.0644
SMILES: C1=CC(=CC=C1C[NH3+])O.[Br-]

CAS RN: 1196887-97-4
CAS Name: 1-(2-aminoethyl)-4-piperidinone
OPENEYE Name: 1-(2-aminoethyl)piperidin-4-one
IUPAC Name: 1-(2-aminoethyl)piperidin-4-one
SYSTEMATIC NAME: 1-(2-azanylethyl)piperidin-4-one
MOLECULAR FORMULA: C7H14N2O
MOLECULAR WEIGHT: 142.19886
SMILES: C1CN(CCC1=O)CCN

CAS RN: 1190-92-7
CAS Name: N,N-dimethyl-2-nitroethanamine
OPENEYE Name: N,N-dimethyl-2-nitro-ethanamine
IUPAC Name: N,N-dimethyl-2-nitroethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-nitro-ethanamine
MOLECULAR FORMULA: C4H10N2O2
MOLECULAR WEIGHT: 118.1344
SMILES: CN(C)CC[N+](=O)[O-]

CAS RN: 27311-52-0
CAS Name: 4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol hydrochloride
OPENEYE Name: 4-amino-2-[(5-amino-2-hydroxy-phenyl)methyl]phenol hydrochloride
IUPAC Name: 4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol hydrochloride
SYSTEMATIC NAME: 4-azanyl-2-[(5-azanyl-2-oxidanyl-phenyl)methyl]phenol hydrochloride
MOLECULAR FORMULA: C13H15ClN2O2
MOLECULAR WEIGHT: 266.7234
SMILES: C1=CC(=C(C=C1N)CC2=C(C=CC(=C2)N)O)O.Cl

CAS RN: 878285-14-4
CAS Name: 2,5-difluoro-4-methylaniline
OPENEYE Name: 2,5-difluoro-4-methyl-aniline
IUPAC Name: 2,5-difluoro-4-methylaniline
SYSTEMATIC NAME: 2,5-bis(fluoranyl)-4-methyl-aniline
MOLECULAR FORMULA: C7H7F2N
MOLECULAR WEIGHT: 143.133986
SMILES: CC1=CC(=C(C=C1F)N)F

CAS RN: 1039826-49-7
CAS Name: 1-(2-chloroethyl)-4-piperidinol
OPENEYE Name: 1-(2-chloroethyl)piperidin-4-ol
IUPAC Name: 1-(2-chloroethyl)piperidin-4-ol
SYSTEMATIC NAME: 1-(2-chloroethyl)piperidin-4-ol
MOLECULAR FORMULA: C7H14ClNO
MOLECULAR WEIGHT: 163.64516
SMILES: C1CN(CCC1O)CCCl

CAS RN: 1060814-88-1
CAS Name: 2-(5-bromo-2-pyridinyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(5-bromo-2-pyridyl)acetate
IUPAC Name: ethyl 2-(5-bromopyridin-2-yl)acetate
SYSTEMATIC NAME: ethyl 2-(5-bromanylpyridin-2-yl)ethanoate
MOLECULAR FORMULA: C9H10BrNO2
MOLECULAR WEIGHT: 244.0852
SMILES: CCOC(=O)CC1=NC=C(C=C1)Br

CAS RN: 773135-70-9
CAS Name: 4-fluoro-2,6-dimethylbenzoic acid ethyl ester
OPENEYE Name: ethyl 4-fluoro-2,6-dimethyl-benzoate
IUPAC Name: ethyl 4-fluoro-2,6-dimethylbenzoate
SYSTEMATIC NAME: ethyl 4-fluoranyl-2,6-dimethyl-benzoate
MOLECULAR FORMULA: C11H13FO2
MOLECULAR WEIGHT: 196.218123
SMILES: CCOC(=O)C1=C(C=C(C=C1C)F)C

CAS RN: 773130-43-1
CAS Name: (E)-3-(4-methoxycarbonyl-2-nitrophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(4-methoxycarbonyl-2-nitro-phenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(4-methoxycarbonyl-2-nitrophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-methoxycarbonyl-2-nitro-phenyl)prop-2-enoic acid
MOLECULAR FORMULA: C11H9NO6
MOLECULAR WEIGHT: 251.19226
SMILES: COC(=O)C1=CC(=C(C=C1)/C=C/C(=O)O)[N+](=O)[O-]

CAS RN: 397864-14-1
CAS Name: 5-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 5-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate
IUPAC Name: tert-butyl 5-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate
SYSTEMATIC NAME: tert-butyl 5-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate
MOLECULAR FORMULA: C14H18N2O4
MOLECULAR WEIGHT: 278.30372
SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2[N+](=O)[O-]

CAS RN: 92146-77-5
CAS Name: 1-(3-methylphenoxy)-1-cyclobutanamine
OPENEYE Name: 1-(3-methylphenoxy)cyclobutanamine
IUPAC Name: 1-(3-methylphenoxy)cyclobutan-1-amine
SYSTEMATIC NAME: 1-(3-methylphenoxy)cyclobutan-1-amine
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: CC1=CC(=CC=C1)OC2(CCC2)N

CAS RN: 153259-31-5
CAS Name: 4-[2-(chloromethyl)-1-methoxybutoxy]pyridine hydrochloride
OPENEYE Name: 4-[2-(chloromethyl)-1-methoxy-butoxy]pyridine hydrochloride
IUPAC Name: 4-[2-(chloromethyl)-1-methoxybutoxy]pyridine hydrochloride
SYSTEMATIC NAME: 4-[2-(chloromethyl)-1-methoxy-butoxy]pyridine hydrochloride
MOLECULAR FORMULA: C11H17Cl2NO2
MOLECULAR WEIGHT: 266.16418
SMILES: CCC(CCl)C(OC)OC1=CC=NC=C1.Cl

CAS RN: 24370-74-9
CAS Name: 6-phenylmethoxy-1H-indole-3-carboxylic acid
OPENEYE Name: 6-benzyloxy-1H-indole-3-carboxylic acid
IUPAC Name: 6-phenylmethoxy-1H-indole-3-carboxylic acid
SYSTEMATIC NAME: 6-phenylmethoxy-1H-indole-3-carboxylic acid
MOLECULAR FORMULA: C16H13NO3
MOLECULAR WEIGHT: 267.27932
SMILES: C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=CN3)C(=O)O

CAS RN: 712353-75-8
CAS Name: 1-[(4-methoxyphenyl)methyl]piperidine-2,4-dione
OPENEYE Name: 1-[(4-methoxyphenyl)methyl]piperidine-2,4-dione
IUPAC Name: 1-[(4-methoxyphenyl)methyl]piperidine-2,4-dione
SYSTEMATIC NAME: 1-[(4-methoxyphenyl)methyl]piperidine-2,4-dione
MOLECULAR FORMULA: C13H15NO3
MOLECULAR WEIGHT: 233.2631
SMILES: COC1=CC=C(C=C1)CN2CCC(=O)CC2=O

CAS RN: 842112-53-2
CAS Name: 3-[2-(methylamino)-1-oxoethyl]-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-[2-(methylamino)acetyl]piperidine-1-carboxylate
IUPAC Name: tert-butyl 3-[2-(methylamino)acetyl]piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-[2-(methylamino)ethanoyl]piperidine-1-carboxylate
MOLECULAR FORMULA: C13H24N2O3
MOLECULAR WEIGHT: 256.34126
SMILES: CC(C)(C)OC(=O)N1CCCC(C1)C(=O)CNC

CAS RN: 875781-48-9
CAS Name: 3-amino-6-iodo-2-pyrazinecarboxylic acid
OPENEYE Name: 3-amino-6-iodo-pyrazine-2-carboxylic acid
IUPAC Name: 3-amino-6-iodopyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-azanyl-6-iodanyl-pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C5H4IN3O2
MOLECULAR WEIGHT: 265.00863
SMILES: C1=C(N=C(C(=N1)N)C(=O)O)I

CAS RN: 90979-49-0
CAS Name: pyrrolidine-2,5-dicarboxylic acid diethyl ester hydrochloride
OPENEYE Name: diethyl pyrrolidine-2,5-dicarboxylate hydrochloride
IUPAC Name: diethyl pyrrolidine-2,5-dicarboxylate hydrochloride
SYSTEMATIC NAME: diethyl pyrrolidine-2,5-dicarboxylate hydrochloride
MOLECULAR FORMULA: C10H18ClNO4
MOLECULAR WEIGHT: 251.70722
SMILES: CCOC(=O)C1CCC(N1)C(=O)OCC.Cl

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