CAS RN: 149156-25-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H19NO4
MOLECULAR WEIGHT: 337.36916
SMILES: CC(=O)OC1=C(C2=C(C[C@@H]3C4=C2C=CC=C4CCN3)C=C1)OC(=O)C
Structure:
CAS RN: 15196-52-8
CAS Name: octadecanoic acid 2,2-bis(1-oxooctadecoxymethyl)butyl ester
OPENEYE Name: 2,2-bis(octadecanoyloxymethyl)butyl octadecanoate
IUPAC Name: 2,2-bis(octadecanoyloxymethyl)butyl octadecanoate
SYSTEMATIC NAME: 2,2-bis(octadecanoyloxymethyl)butyl octadecanoate
MOLECULAR FORMULA: C60H116O6
MOLECULAR WEIGHT: 933.55944
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
Structure:
CAS RN: 82900-94-5
CAS Name: 1-(2-amino-4-ethoxy-5-methoxyphenyl)ethanone
OPENEYE Name: 1-(2-amino-4-ethoxy-5-methoxy-phenyl)ethanone
IUPAC Name: 1-(2-amino-4-ethoxy-5-methoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(2-azanyl-4-ethoxy-5-methoxy-phenyl)ethanone
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: CCOC1=C(C=C(C(=C1)N)C(=O)C)OC
Structure:
CAS RN: 119738-50-0
CAS Name: 5-(4-methoxyphenyl)-2-pyrazinamine
OPENEYE Name: 5-(4-methoxyphenyl)pyrazin-2-amine
IUPAC Name: 5-(4-methoxyphenyl)pyrazin-2-amine
SYSTEMATIC NAME: 5-(4-methoxyphenyl)pyrazin-2-amine
MOLECULAR FORMULA: C11H11N3O
MOLECULAR WEIGHT: 201.22454
SMILES: COC1=CC=C(C=C1)C2=CN=C(C=N2)N
Structure:
CAS RN: 37340-18-4
CAS Name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)hexane
OPENEYE Name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]hexane
IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)hexane
SYSTEMATIC NAME: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecakis(fluoranyl)-6-[1,1,1,2,3,3,3-heptakis(fluoranyl)propan-2-yloxy]hexane
MOLECULAR FORMULA: C9F20O
MOLECULAR WEIGHT: 504.063764
SMILES: C(C(F)(F)F)(C(F)(F)F)(OC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Structure:
CAS RN: 129630-17-7
CAS Name: 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-3-pyrazolyl]-4-fluorophenoxy]acetic acid
OPENEYE Name: 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-pyrazol-3-yl]-4-fluoro-phenoxy]acetic acid
IUPAC Name: 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetic acid
SYSTEMATIC NAME: 2-[5-[5-[bis(fluoranyl)methoxy]-4-chloranyl-1-methyl-pyrazol-3-yl]-2-chloranyl-4-fluoranyl-phenoxy]ethanoic acid
MOLECULAR FORMULA: C13H9Cl2F3N2O4
MOLECULAR WEIGHT: 385.12277
SMILES: CN1C(=C(C(=N1)C2=CC(=C(C=C2F)Cl)OCC(=O)O)Cl)OC(F)F
Structure:
CAS RN: 142437-68-1
CAS Name: 2-(2,4-dimethyl-5-thiazolyl)ethanamine
OPENEYE Name: 2-(2,4-dimethylthiazol-5-yl)ethanamine
IUPAC Name: 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SYSTEMATIC NAME: 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
MOLECULAR FORMULA: C7H12N2S
MOLECULAR WEIGHT: 156.24858
SMILES: CC1=C(SC(=N1)C)CCN
Structure:
CAS RN: 119448-87-2
CAS Name: 1-imidazo[1,5-a]pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl imidazo[1,5-a]pyridine-1-carboxylate
IUPAC Name: ethyl imidazo[1,5-a]pyridine-1-carboxylate
SYSTEMATIC NAME: ethyl imidazo[1,5-a]pyridine-1-carboxylate
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: CCOC(=O)C1=C2C=CC=CN2C=N1
Structure:
CAS RN: 140927-13-5
CAS Name: 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
IUPAC Name: benzyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 5-oxidanylidene-2-azabicyclo[2.2.1]heptane-2-carboxylate
MOLECULAR FORMULA: C14H15NO3
MOLECULAR WEIGHT: 245.2738
SMILES: C1C2CC(=O)C1CN2C(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 139042-59-4
CAS Name: 1-(6-bromo-3-pyridinyl)ethanone
OPENEYE Name: 1-(6-bromo-3-pyridyl)ethanone
IUPAC Name: 1-(6-bromopyridin-3-yl)ethanone
SYSTEMATIC NAME: 1-(6-bromanylpyridin-3-yl)ethanone
MOLECULAR FORMULA: C7H6BrNO
MOLECULAR WEIGHT: 200.03264
SMILES: CC(=O)C1=CN=C(C=C1)Br
Structure:
CAS RN: 111393-93-2
CAS Name: sodium cyano(1,3,4-thiadiazol-2-yl)azanide
OPENEYE Name: sodium cyano(1,3,4-thiadiazol-2-yl)azanide
IUPAC Name: sodium cyano(1,3,4-thiadiazol-2-yl)azanide
SYSTEMATIC NAME: sodium cyano(1,3,4-thiadiazol-2-yl)azanide
MOLECULAR FORMULA: C3HN4NaS
MOLECULAR WEIGHT: 148.12161
SMILES: C1=NN=C(S1)[N-]C#N.[Na+]
Structure:
CAS RN: 116339-45-8
CAS Name: 2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-1-pyrrolidinyl]acetic acid
OPENEYE Name: 2-[3-(tert-butoxycarbonylamino)-2-oxo-pyrrolidin-1-yl]acetic acid
IUPAC Name: 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid
SYSTEMATIC NAME: 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-pyrrolidin-1-yl]ethanoic acid
MOLECULAR FORMULA: C11H18N2O5
MOLECULAR WEIGHT: 258.27102
SMILES: CC(C)(C)OC(=O)NC1CCN(C1=O)CC(=O)O
Structure:
CAS RN: 138305-19-8
CAS Name: 1-phenylpyrido[2,3-d][1,3]oxazine-2,4-dione
OPENEYE Name: 1-phenylpyrido[2,3-d][1,3]oxazine-2,4-dione
IUPAC Name: 1-phenylpyrido[2,3-d][1,3]oxazine-2,4-dione
SYSTEMATIC NAME: 1-phenylpyrido[2,3-d][1,3]oxazine-2,4-dione
MOLECULAR FORMULA: C13H8N2O3
MOLECULAR WEIGHT: 240.21422
SMILES: C1=CC=C(C=C1)N2C3=C(C=CC=N3)C(=O)OC2=O
Structure:
CAS RN: 136927-63-4
CAS Name: 2H-pyrrolo[1,2-a]pyrazin-1-one
OPENEYE Name: 2H-pyrrolo[1,2-a]pyrazin-1-one
IUPAC Name: 2H-pyrrolo[1,2-a]pyrazin-1-one
SYSTEMATIC NAME: 2H-pyrrolo[1,2-a]pyrazin-1-one
MOLECULAR FORMULA: C7H6N2O
MOLECULAR WEIGHT: 134.13534
SMILES: C1=CN2C=CNC(=O)C2=C1
Structure:
CAS RN: 135513-52-9
CAS Name: 6-(1-aziridinyl)-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione
OPENEYE Name: 6-(aziridin-1-yl)-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione
IUPAC Name: 6-(aziridin-1-yl)-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione
SYSTEMATIC NAME: 6-(aziridin-1-yl)-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione
MOLECULAR FORMULA: C13H13N3O2
MOLECULAR WEIGHT: 243.26122
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CCCC3=N2)N4CC4
Structure:
CAS RN: 197376-47-9
CAS Name: 2-(6-chloro-3-pyridinyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(6-chloro-3-pyridyl)acetate
IUPAC Name: ethyl 2-(6-chloropyridin-3-yl)acetate
SYSTEMATIC NAME: ethyl 2-(6-chloranylpyridin-3-yl)ethanoate
MOLECULAR FORMULA: C9H10ClNO2
MOLECULAR WEIGHT: 199.6342
SMILES: CCOC(=O)CC1=CN=C(C=C1)Cl
Structure:
CAS RN: 103354-08-1
CAS Name: 3,4,5-trichlorocyclopent-3-ene-1,2-dione
OPENEYE Name: 3,4,5-trichlorocyclopent-3-ene-1,2-dione
IUPAC Name: 3,4,5-trichlorocyclopent-3-ene-1,2-dione
SYSTEMATIC NAME: 3,4,5-tris(chloranyl)cyclopent-3-ene-1,2-dione
MOLECULAR FORMULA: C5HCl3O2
MOLECULAR WEIGHT: 199.41924
SMILES: C1(C(=C(C(=O)C1=O)Cl)Cl)Cl
Structure:
CAS RN: 17695-00-0
CAS Name: hexadecyl-dimethyl-phenylammonium bromide
OPENEYE Name: hexadecyl-dimethyl-phenyl-ammonium bromide
IUPAC Name: hexadecyl-dimethyl-phenylazanium bromide
SYSTEMATIC NAME: hexadecyl-dimethyl-phenyl-azanium bromide
MOLECULAR FORMULA: C24H44BrN
MOLECULAR WEIGHT: 426.51686
SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C1=CC=CC=C1.[Br-]
Structure:
CAS RN: 155172-78-4
CAS Name: (2S)-2-amino-2-(9H-fluoren-9-yl)acetic acid
OPENEYE Name: (2S)-2-amino-2-(9H-fluoren-9-yl)acetic acid
IUPAC Name: (2S)-2-amino-2-(9H-fluoren-9-yl)acetic acid
SYSTEMATIC NAME: (2S)-2-azanyl-2-(9H-fluoren-9-yl)ethanoic acid
MOLECULAR FORMULA: C15H13NO2
MOLECULAR WEIGHT: 239.26922
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)[C@@H](C(=O)O)N
Structure:
CAS RN: 77256-87-2
CAS Name: 7-(phenylmethoxymethyl)-5-bicyclo[2.2.1]hept-2-enone
OPENEYE Name: 7-(benzyloxymethyl)bicyclo[2.2.1]hept-2-en-5-one
IUPAC Name: 7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-en-5-one
SYSTEMATIC NAME: 7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-en-5-one
MOLECULAR FORMULA: C15H16O2
MOLECULAR WEIGHT: 228.28634
SMILES: C1C2C=CC(C2COCC3=CC=CC=C3)C1=O
Structure:
CAS RN: 151322-65-5
CAS Name: 2-chloro-5-fluoro-6-(methylthio)-3-pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-chloro-5-fluoro-6-methylsulfanyl-pyridine-3-carboxylate
IUPAC Name: ethyl 2-chloro-5-fluoro-6-methylsulfanylpyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 2-chloranyl-5-fluoranyl-6-methylsulfanyl-pyridine-3-carboxylate
MOLECULAR FORMULA: C9H9ClFNO2S
MOLECULAR WEIGHT: 249.689663
SMILES: CCOC(=O)C1=CC(=C(N=C1Cl)SC)F
Structure:
CAS RN: 6265-48-1
CAS Name: 2-[2-[(E)-heptadec-8-enyl]-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride
OPENEYE Name: 2-[2-[(E)-heptadec-8-enyl]-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride
IUPAC Name: 2-[2-[(E)-heptadec-8-enyl]-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride
SYSTEMATIC NAME: 2-[2-[(E)-heptadec-8-enyl]-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride
MOLECULAR FORMULA: C24H47ClN2O2
MOLECULAR WEIGHT: 431.09518
SMILES: CCCCCCCC/C=C/CCCCCCCC1=NCC[N+]1(CCO)CCO.[Cl-]
Structure:
CAS RN: 107904-06-3
CAS Name: 2-morpholinecarboxylic acid ethyl ester
OPENEYE Name: ethyl morpholine-2-carboxylate
IUPAC Name: ethyl morpholine-2-carboxylate
SYSTEMATIC NAME: ethyl morpholine-2-carboxylate
MOLECULAR FORMULA: C7H13NO3
MOLECULAR WEIGHT: 159.18302
SMILES: CCOC(=O)C1CNCCO1
Structure:
CAS RN: 107904-08-5
CAS Name: 4-(phenylmethyl)-2-morpholinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-benzylmorpholine-2-carboxylate
IUPAC Name: ethyl 4-benzylmorpholine-2-carboxylate
SYSTEMATIC NAME: ethyl 4-(phenylmethyl)morpholine-2-carboxylate
MOLECULAR FORMULA: C14H19NO3
MOLECULAR WEIGHT: 249.30556
SMILES: CCOC(=O)C1CN(CCO1)CC2=CC=CC=C2
Structure:
CAS RN: 135072-32-1
CAS Name: 4-(phenylmethyl)-2-morpholinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-benzylmorpholine-2-carboxylate
IUPAC Name: ethyl 4-benzylmorpholine-2-carboxylate
SYSTEMATIC NAME: ethyl 4-(phenylmethyl)morpholine-2-carboxylate
MOLECULAR FORMULA: C14H19NO3
MOLECULAR WEIGHT: 249.30556
SMILES: CCOC(=O)C1CN(CCO1)CC2=CC=CC=C2
Structure:
CAS RN: 126645-52-1
CAS Name: 4-(phenylmethyl)-2-morpholinecarbonitrile
OPENEYE Name: 4-benzylmorpholine-2-carbonitrile
IUPAC Name: 4-benzylmorpholine-2-carbonitrile
SYSTEMATIC NAME: 4-(phenylmethyl)morpholine-2-carbonitrile
MOLECULAR FORMULA: C12H14N2O
MOLECULAR WEIGHT: 202.25236
SMILES: C1COC(CN1CC2=CC=CC=C2)C#N
Structure:
CAS RN: 177314-99-7
CAS Name: (3R,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
OPENEYE Name: (3R,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
IUPAC Name: (3R,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
SYSTEMATIC NAME: (3R,4aR,6R,8aR)-6-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
MOLECULAR FORMULA: C13H21N5O2
MOLECULAR WEIGHT: 279.33814
SMILES: C1C[C@H]2CN[C@H](C[C@H]2C[C@H]1CCC3=NNN=N3)C(=O)O
Structure:
CAS RN: 3970-68-1
CAS Name: 4-methyl-4-piperidinol
OPENEYE Name: 4-methylpiperidin-4-ol
IUPAC Name: 4-methylpiperidin-4-ol
SYSTEMATIC NAME: 4-methylpiperidin-4-ol
MOLECULAR FORMULA: C6H13NO
MOLECULAR WEIGHT: 115.17352
SMILES: CC1(CCNCC1)O
Structure:
CAS RN: 24298-49-5
CAS Name: (ethenyldisulfanyl)ethane
OPENEYE Name: (vinyldisulfanyl)ethane
IUPAC Name: (ethenyldisulfanyl)ethane
SYSTEMATIC NAME: (ethenyldisulfanyl)ethane
MOLECULAR FORMULA: C4H8S2
MOLECULAR WEIGHT: 120.23632
SMILES: CCSSC=C
Structure:
CAS RN: 7401-19-6
CAS Name: methanesulfonate; trimethyl(octadecyl)ammonium
OPENEYE Name: methanesulfonate; trimethyl(octadecyl)ammonium
IUPAC Name: methanesulfonate; trimethyl(octadecyl)azanium
SYSTEMATIC NAME: methanesulfonate; trimethyl(octadecyl)azanium
MOLECULAR FORMULA: C22H49NO3S
MOLECULAR WEIGHT: 407.69436
SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)C.CS(=O)(=O)[O-]
Structure:
CAS RN: 152684-30-5
CAS Name: 5-bromo-2-methoxy-3-nitropyridine
OPENEYE Name: 5-bromo-2-methoxy-3-nitro-pyridine
IUPAC Name: 5-bromo-2-methoxy-3-nitropyridine
SYSTEMATIC NAME: 5-bromanyl-2-methoxy-3-nitro-pyridine
MOLECULAR FORMULA: C6H5BrN2O3
MOLECULAR WEIGHT: 233.0195
SMILES: COC1=NC=C(C=C1[N+](=O)[O-])Br
Structure:
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