CAS RN: 58906-38-0
CAS Name: (4-benzoylphenyl)urea
OPENEYE Name: (4-benzoylphenyl)urea
IUPAC Name: (4-benzoylphenyl)urea
SYSTEMATIC NAME: 1-[4-(phenylcarbonyl)phenyl]urea
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)NC(=O)N
Structure:
CAS RN: 20309-57-3
CAS Name: 2-hydroxy-2-phenylacetic acid pentyl ester
OPENEYE Name: pentyl 2-hydroxy-2-phenyl-acetate
IUPAC Name: pentyl 2-hydroxy-2-phenylacetate
SYSTEMATIC NAME: pentyl 2-oxidanyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: CCCCCOC(=O)C(C1=CC=CC=C1)O
Structure:
CAS RN: 7534-77-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: C=CCOC1CC2CC1C3C2C=CC3
Structure:
CAS RN: 91956-97-7
CAS Name: N,N-diethyl-2-benzofurancarboxamide
OPENEYE Name: N,N-diethylbenzofuran-2-carboxamide
IUPAC Name: N,N-diethyl-1-benzofuran-2-carboxamide
SYSTEMATIC NAME: N,N-diethyl-1-benzofuran-2-carboxamide
MOLECULAR FORMULA: C13H15NO2
MOLECULAR WEIGHT: 217.2637
SMILES: CCN(CC)C(=O)C1=CC2=CC=CC=C2O1
Structure:
CAS RN: 20306-03-0
CAS Name: 1-hydroxy-1-cyclohexanecarboxylic acid 2-propoxyethyl ester
OPENEYE Name: 2-propoxyethyl 1-hydroxycyclohexanecarboxylate
IUPAC Name: 2-propoxyethyl 1-hydroxycyclohexane-1-carboxylate
SYSTEMATIC NAME: 2-propoxyethyl 1-oxidanylcyclohexane-1-carboxylate
MOLECULAR FORMULA: C12H22O4
MOLECULAR WEIGHT: 230.30068
SMILES: CCCOCCOC(=O)C1(CCCCC1)O
Structure:
CAS RN: 59956-69-3
CAS Name: 2-bromoacetic acid (4-butan-2-ylcyclohexyl) ester
OPENEYE Name: (4-sec-butylcyclohexyl) 2-bromoacetate
IUPAC Name: (4-butan-2-ylcyclohexyl) 2-bromoacetate
SYSTEMATIC NAME: (4-butan-2-ylcyclohexyl) 2-bromanylethanoate
MOLECULAR FORMULA: C12H21BrO2
MOLECULAR WEIGHT: 277.19794
SMILES: CCC(C)C1CCC(CC1)OC(=O)CBr
Structure:
CAS RN: 69833-28-9
CAS Name: N-(3-methylbutyl)-N-phenylformamide
OPENEYE Name: N-isopentyl-N-phenyl-formamide
IUPAC Name: N-(3-methylbutyl)-N-phenylformamide
SYSTEMATIC NAME: N-(3-methylbutyl)-N-phenyl-methanamide
MOLECULAR FORMULA: C12H17NO
MOLECULAR WEIGHT: 191.26948
SMILES: CC(C)CCN(C=O)C1=CC=CC=C1
Structure:
CAS RN: 59956-71-7
CAS Name: 2-bromoacetic acid (2-propan-2-ylcyclohexyl) ester
OPENEYE Name: (2-isopropylcyclohexyl) 2-bromoacetate
IUPAC Name: (2-propan-2-ylcyclohexyl) 2-bromoacetate
SYSTEMATIC NAME: (2-propan-2-ylcyclohexyl) 2-bromanylethanoate
MOLECULAR FORMULA: C11H19BrO2
MOLECULAR WEIGHT: 263.17136
SMILES: CC(C)C1CCCCC1OC(=O)CBr
Structure:
CAS RN: 5663-12-7
CAS Name: 5-(1,3-dioxan-2-yl)-1,3-benzodioxole
OPENEYE Name: 5-(1,3-dioxan-2-yl)-1,3-benzodioxole
IUPAC Name: 5-(1,3-dioxan-2-yl)-1,3-benzodioxole
SYSTEMATIC NAME: 5-(1,3-dioxan-2-yl)-1,3-benzodioxole
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: C1COC(OC1)C2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 38674-98-5
CAS Name: 2-bromoacetic acid octyl ester
OPENEYE Name: octyl 2-bromoacetate
IUPAC Name: octyl 2-bromoacetate
SYSTEMATIC NAME: octyl 2-bromanylethanoate
MOLECULAR FORMULA: C10H19BrO2
MOLECULAR WEIGHT: 251.16066
SMILES: CCCCCCCCOC(=O)CBr
Structure:
CAS RN: 68144-73-0
CAS Name: 2-bromoacetic acid 2-ethylhexyl ester
OPENEYE Name: 2-ethylhexyl 2-bromoacetate
IUPAC Name: 2-ethylhexyl 2-bromoacetate
SYSTEMATIC NAME: 2-ethylhexyl 2-bromanylethanoate
MOLECULAR FORMULA: C10H19BrO2
MOLECULAR WEIGHT: 251.16066
SMILES: CCCCC(CC)COC(=O)CBr
Structure:
CAS RN: 50362-13-5
CAS Name: N,N-diethylhexa-2,4-dienamide
OPENEYE Name: N,N-diethylhexa-2,4-dienamide
IUPAC Name: N,N-diethylhexa-2,4-dienamide
SYSTEMATIC NAME: N,N-diethylhexa-2,4-dienamide
MOLECULAR FORMULA: C10H17NO
MOLECULAR WEIGHT: 167.24808
SMILES: CCN(CC)C(=O)C=CC=CC
Structure:
CAS RN: 56521-82-5
CAS Name: 2-bromoacetic acid 2-phenoxyethyl ester
OPENEYE Name: 2-phenoxyethyl 2-bromoacetate
IUPAC Name: 2-phenoxyethyl 2-bromoacetate
SYSTEMATIC NAME: 2-phenoxyethyl 2-bromanylethanoate
MOLECULAR FORMULA: C10H11BrO3
MOLECULAR WEIGHT: 259.09654
SMILES: C1=CC=C(C=C1)OCCOC(=O)CBr
Structure:
CAS RN: 7596-98-7
CAS Name: 2-cyano-2-propan-2-ylpentanamide
OPENEYE Name: 2-cyano-2-isopropyl-pentanamide
IUPAC Name: 2-cyano-2-propan-2-ylpentanamide
SYSTEMATIC NAME: 2-cyano-2-propan-2-yl-pentanamide
MOLECULAR FORMULA: C9H16N2O
MOLECULAR WEIGHT: 168.23614
SMILES: CCCC(C#N)(C(C)C)C(=O)N
Structure:
CAS RN: 59956-53-5
CAS Name: 2-bromoacetic acid heptan-3-yl ester
OPENEYE Name: 1-ethylpentyl 2-bromoacetate
IUPAC Name: heptan-3-yl 2-bromoacetate
SYSTEMATIC NAME: heptan-3-yl 2-bromanylethanoate
MOLECULAR FORMULA: C9H17BrO2
MOLECULAR WEIGHT: 237.13408
SMILES: CCCCC(CC)OC(=O)CBr
Structure:
CAS RN: 28384-27-2
CAS Name: 2-bromoacetic acid (4-methylcyclohexyl) ester
OPENEYE Name: (4-methylcyclohexyl) 2-bromoacetate
IUPAC Name: (4-methylcyclohexyl) 2-bromoacetate
SYSTEMATIC NAME: (4-methylcyclohexyl) 2-bromanylethanoate
MOLECULAR FORMULA: C9H15BrO2
MOLECULAR WEIGHT: 235.1182
SMILES: CC1CCC(CC1)OC(=O)CBr
Structure:
CAS RN: 61587-14-2
CAS Name: N-(4-ethoxyphenyl)formamide
OPENEYE Name: N-(4-ethoxyphenyl)formamide
IUPAC Name: N-(4-ethoxyphenyl)formamide
SYSTEMATIC NAME: N-(4-ethoxyphenyl)methanamide
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: CCOC1=CC=C(C=C1)NC=O
Structure:
CAS RN: 42865-71-4
CAS Name: (3-acetylphenyl)urea
OPENEYE Name: (3-acetylphenyl)urea
IUPAC Name: (3-acetylphenyl)urea
SYSTEMATIC NAME: 1-(3-ethanoylphenyl)urea
MOLECULAR FORMULA: C9H10N2O2
MOLECULAR WEIGHT: 178.1879
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)N
Structure:
CAS RN: 33630-47-6
CAS Name: 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetonitrile
OPENEYE Name: 2-(1,3-benzodioxol-5-yl)-2-hydroxy-acetonitrile
IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetonitrile
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethanenitrile
MOLECULAR FORMULA: C9H7NO3
MOLECULAR WEIGHT: 177.15678
SMILES: C1OC2=C(O1)C=C(C=C2)C(C#N)O
Structure:
CAS RN: 59734-16-6
CAS Name: N-heptylformamide
OPENEYE Name: N-heptylformamide
IUPAC Name: N-heptylformamide
SYSTEMATIC NAME: N-heptylmethanamide
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CCCCCCCNC=O
Structure:
CAS RN: 59956-52-4
CAS Name: 2-bromoacetic acid 4-methylpentan-2-yl ester
OPENEYE Name: 1,3-dimethylbutyl 2-bromoacetate
IUPAC Name: 4-methylpentan-2-yl 2-bromoacetate
SYSTEMATIC NAME: 4-methylpentan-2-yl 2-bromanylethanoate
MOLECULAR FORMULA: C8H15BrO2
MOLECULAR WEIGHT: 223.1075
SMILES: CC(C)CC(C)OC(=O)CBr
Structure:
CAS RN: 59956-50-2
CAS Name: 2-bromoacetic acid 2-methylpentyl ester
OPENEYE Name: 2-methylpentyl 2-bromoacetate
IUPAC Name: 2-methylpentyl 2-bromoacetate
SYSTEMATIC NAME: 2-methylpentyl 2-bromanylethanoate
MOLECULAR FORMULA: C8H15BrO2
MOLECULAR WEIGHT: 223.1075
SMILES: CCCC(C)COC(=O)CBr
Structure:
CAS RN: 50343-42-5
CAS Name: 2-bromoacetic acid 3-(2-bromo-1-oxoethoxy)butyl ester
OPENEYE Name: 3-(2-bromoacetyl)oxybutyl 2-bromoacetate
IUPAC Name: 3-(2-bromoacetyl)oxybutyl 2-bromoacetate
SYSTEMATIC NAME: 3-(2-bromanylethanoyloxy)butyl 2-bromanylethanoate
MOLECULAR FORMULA: C8H12Br2O4
MOLECULAR WEIGHT: 331.98648
SMILES: CC(CCOC(=O)CBr)OC(=O)CBr
Structure:
CAS RN: 59956-49-9
CAS Name: 2-bromoacetic acid pentan-3-yl ester
OPENEYE Name: 1-ethylpropyl 2-bromoacetate
IUPAC Name: pentan-3-yl 2-bromoacetate
SYSTEMATIC NAME: pentan-3-yl 2-bromanylethanoate
MOLECULAR FORMULA: C7H13BrO2
MOLECULAR WEIGHT: 209.08092
SMILES: CCC(CC)OC(=O)CBr
Structure:
CAS RN: 5657-41-0
CAS Name: (4-sulfamoylphenyl)urea
OPENEYE Name: (4-sulfamoylphenyl)urea
IUPAC Name: (4-sulfamoylphenyl)urea
SYSTEMATIC NAME: 1-(4-sulfamoylphenyl)urea
MOLECULAR FORMULA: C7H9N3O3S
MOLECULAR WEIGHT: 215.22966
SMILES: C1=CC(=CC=C1NC(=O)N)S(=O)(=O)N
Structure:
CAS RN: 89600-72-6
CAS Name: 2-cyanopentanamide
OPENEYE Name: 2-cyanopentanamide
IUPAC Name: 2-cyanopentanamide
SYSTEMATIC NAME: 2-cyanopentanamide
MOLECULAR FORMULA: C6H10N2O
MOLECULAR WEIGHT: 126.1564
SMILES: CCCC(C#N)C(=O)N
Structure:
CAS RN: 89600-60-2
CAS Name: 2-cyano-3-methylbutanamide
OPENEYE Name: 2-cyano-3-methyl-butanamide
IUPAC Name: 2-cyano-3-methylbutanamide
SYSTEMATIC NAME: 2-cyano-3-methyl-butanamide
MOLECULAR FORMULA: C6H10N2O
MOLECULAR WEIGHT: 126.1564
SMILES: CC(C)C(C#N)C(=O)N
Structure:
CAS RN: 56521-72-3
CAS Name: 2-bromoacetic acid 2-methoxyethyl ester
OPENEYE Name: 2-methoxyethyl 2-bromoacetate
IUPAC Name: 2-methoxyethyl 2-bromoacetate
SYSTEMATIC NAME: 2-methoxyethyl 2-bromanylethanoate
MOLECULAR FORMULA: C5H9BrO3
MOLECULAR WEIGHT: 197.02716
SMILES: COCCOC(=O)CBr
Structure:
CAS RN: 55110-70-8
CAS Name: 2-bromoacetic acid 2,2,2-trichloroethyl ester
OPENEYE Name: 2,2,2-trichloroethyl 2-bromoacetate
IUPAC Name: 2,2,2-trichloroethyl 2-bromoacetate
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)ethyl 2-bromanylethanoate
MOLECULAR FORMULA: C4H4BrCl3O2
MOLECULAR WEIGHT: 270.33636
SMILES: C(C(=O)OCC(Cl)(Cl)Cl)Br
Structure:
CAS RN: 18041-82-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H29NO
MOLECULAR WEIGHT: 299.45036
SMILES: CC12CCCC3(C1CCC45C3CC(CC4)C(=C)C5O)C=NC2
Structure:
CAS RN: 1634-83-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H35NO
MOLECULAR WEIGHT: 329.5194
SMILES: CCN1CC2(CCCC3(C1)C2CCC45C3CC(CC4)C(=C)C5O)C
Structure:
CAS RN: 7510-09-0
CAS Name: N-(4-acetamido-2,5-dichloro-3,6-dioxo-1-cyclohexa-1,4-dienyl)acetamide
OPENEYE Name: N-(4-acetamido-2,5-dichloro-3,6-dioxo-cyclohexa-1,4-dien-1-yl)acetamide
IUPAC Name: N-(4-acetamido-2,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide
SYSTEMATIC NAME: N-[4-acetamido-2,5-bis(chloranyl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]ethanamide
MOLECULAR FORMULA: C10H8Cl2N2O4
MOLECULAR WEIGHT: 291.08752
SMILES: CC(=O)NC1=C(C(=O)C(=C(C1=O)Cl)NC(=O)C)Cl
Structure:
CAS RN: 7510-08-9
CAS Name: 4-oxo-4-phenyl-N-(phenylmethyl)butanamide
OPENEYE Name: N-benzyl-4-oxo-4-phenyl-butanamide
IUPAC Name: N-benzyl-4-oxo-4-phenylbutanamide
SYSTEMATIC NAME: 4-oxidanylidene-4-phenyl-N-(phenylmethyl)butanamide
MOLECULAR FORMULA: C17H17NO2
MOLECULAR WEIGHT: 267.32238
SMILES: C1=CC=C(C=C1)CNC(=O)CCC(=O)C2=CC=CC=C2
Structure:
CAS RN: 6415-70-9
CAS Name: 2,3-diphenyl-1-cycloprop-2-enecarboxamide
OPENEYE Name: 2,3-diphenylcycloprop-2-ene-1-carboxamide
IUPAC Name: 2,3-diphenylcycloprop-2-ene-1-carboxamide
SYSTEMATIC NAME: 2,3-diphenylcycloprop-2-ene-1-carboxamide
MOLECULAR FORMULA: C16H13NO
MOLECULAR WEIGHT: 235.28052
SMILES: C1=CC=C(C=C1)C2=C(C2C(=O)N)C3=CC=CC=C3
Structure:
CAS RN: 17825-58-0
CAS Name: 2,3-diphenyl-1-cycloprop-2-enecarboxylic acid
OPENEYE Name: 2,3-diphenylcycloprop-2-ene-1-carboxylic acid
IUPAC Name: 2,3-diphenylcycloprop-2-ene-1-carboxylic acid
SYSTEMATIC NAME: 2,3-diphenylcycloprop-2-ene-1-carboxylic acid
MOLECULAR FORMULA: C16H12O2
MOLECULAR WEIGHT: 236.26528
SMILES: C1=CC=C(C=C1)C2=C(C2C(=O)O)C3=CC=CC=C3
Structure:
CAS RN: 7622-04-0
CAS Name: N-(9,10-dihydroxy-1,2,3-trimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[a]heptalen-7-yl)acetamide
OPENEYE Name: N-(9,10-dihydroxy-1,2,3-trimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[a]heptalen-7-yl)acetamide
IUPAC Name: N-(9,10-dihydroxy-1,2,3-trimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[a]heptalen-7-yl)acetamide
SYSTEMATIC NAME: N-[1,2,3-trimethoxy-9,10-bis(oxidanyl)-5,6,7,8,9,10,11,12-octahydrobenzo[a]heptalen-7-yl]ethanamide
MOLECULAR FORMULA: C21H29NO6
MOLECULAR WEIGHT: 391.45806
SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1CC(C(CC3)O)O)OC)OC)OC
Structure:
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