Product OPENEYE NAME: 5-(1,3-benzodioxol-5-yl)-3-hexyl-cyclohex-2-en-1-one
CAS Name: 5-(1,3-benzodioxol-5-yl)-3-hexyl-1-cyclohex-2-enone
IUPAC NAME: 5-(1,3-benzodioxol-5-yl)-3-hexylcyclohex-2-en-1-one
SYSTEMATIC NAME: 5-(1,3-benzodioxol-5-yl)-3-hexyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C19H24O3
MOLECULAR WEIGHT: 300.39206
SMILES: CCCCCCC1=CC(=O)CC(C1)C2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: 4-(4-amino-3-methoxy-phenyl)-2-methoxy-aniline
CAS Name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline
IUPAC NAME: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline
SYSTEMATIC NAME: 4-(4-azanyl-3-methoxy-phenyl)-2-methoxy-aniline
MOLECULAR FORMULA: C14H16N2O2
MOLECULAR WEIGHT: 244.28904
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
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Product OPENEYE NAME: 2-(2-quinolyl)quinoline
CAS Name: 2-(2-quinolinyl)quinoline
IUPAC NAME: 2-quinolin-2-ylquinoline
SYSTEMATIC NAME: 2-quinolin-2-ylquinoline
MOLECULAR FORMULA: C18H12N2
MOLECULAR WEIGHT: 256.30128
SMILES: C1=CC=C2C(=C1)C=CC(=N2)C3=NC4=CC=CC=C4C=C3
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Product OPENEYE NAME: 4-(4-amino-3-methyl-phenyl)-2-methyl-aniline
CAS Name: 4-(4-amino-3-methylphenyl)-2-methylaniline
IUPAC NAME: 4-(4-amino-3-methylphenyl)-2-methylaniline
SYSTEMATIC NAME: 4-(4-azanyl-3-methyl-phenyl)-2-methyl-aniline
MOLECULAR FORMULA: C14H16N2
MOLECULAR WEIGHT: 212.29024
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N
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Product OPENEYE NAME: N-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide
CAS Name: N-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide
IUPAC NAME: N-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide
SYSTEMATIC NAME: N-[5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]-2-oxidanyl-phenyl]ethanamide
MOLECULAR FORMULA: C11H14AsNO3S2
MOLECULAR WEIGHT: 347.28536
SMILES: CC(=O)NC1=C(C=CC(=C1)[As]2SCC(S2)CO)O
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Product OPENEYE NAME: 2-[carboxymethylsulfanyl-(4-ureidophenyl)arsanyl]sulfanylacetic acid
CAS Name: 2-[[[4-(carbamoylamino)phenyl]-(carboxymethylthio)arsino]thio]acetic acid
IUPAC NAME: 2-[[4-(carbamoylamino)phenyl]-(carboxymethylsulfanyl)arsanyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[[4-(aminocarbonylamino)phenyl]-(2-hydroxy-2-oxoethylsulfanyl)arsanyl]sulfanylethanoic acid
MOLECULAR FORMULA: C11H13AsN2O5S2
MOLECULAR WEIGHT: 392.28292
SMILES: C1=CC(=CC=C1NC(=O)N)[As](SCC(=O)O)SCC(=O)O
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Product OPENEYE NAME: 2-[N-(2-hydroxyethyl)anilino]ethanol
CAS Name: 2-[N-(2-hydroxyethyl)anilino]ethanol
IUPAC NAME: 2-[N-(2-hydroxyethyl)anilino]ethanol
SYSTEMATIC NAME: 2-[2-hydroxyethyl(phenyl)amino]ethanol
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: C1=CC=C(C=C1)N(CCO)CCO
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Product OPENEYE NAME: 6,7-dimethoxychromen-2-one
CAS Name: 6,7-dimethoxy-1-benzopyran-2-one
IUPAC NAME: 6,7-dimethoxychromen-2-one
SYSTEMATIC NAME: 6,7-dimethoxychromen-2-one
MOLECULAR FORMULA: C11H10O4
MOLECULAR WEIGHT: 206.1947
SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)OC
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Product OPENEYE NAME: anthracene
CAS Name: anthracene
IUPAC NAME: anthracene
SYSTEMATIC NAME: anthracene
MOLECULAR FORMULA: C14H10
MOLECULAR WEIGHT: 178.2292
SMILES: C1=CC=C2C=C3C=CC=CC3=CC2=C1
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Product OPENEYE NAME: 3,4-dimethoxybenzaldehyde
CAS Name: 3,4-dimethoxybenzaldehyde
IUPAC NAME: 3,4-dimethoxybenzaldehyde
SYSTEMATIC NAME: 3,4-dimethoxybenzaldehyde
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: COC1=C(C=C(C=C1)C=O)OC
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Product OPENEYE NAME: naphthalene-2-sulfonic acid
CAS Name: 2-naphthalenesulfonic acid
IUPAC NAME: naphthalene-2-sulfonic acid
SYSTEMATIC NAME: naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C10H8O3S
MOLECULAR WEIGHT: 208.23372
SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O
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Product OPENEYE NAME: 2-(3,4-dimethoxyphenyl)ethanamine
CAS Name: 2-(3,4-dimethoxyphenyl)ethanamine
IUPAC NAME: 2-(3,4-dimethoxyphenyl)ethanamine
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)ethanamine
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: COC1=C(C=C(C=C1)CCN)OC
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Product OPENEYE NAME: 2-(2-naphthyloxy)acetic acid
CAS Name: 2-(2-naphthalenyloxy)acetic acid
IUPAC NAME: 2-naphthalen-2-yloxyacetic acid
SYSTEMATIC NAME: 2-naphthalen-2-yloxyethanoic acid
MOLECULAR FORMULA: C12H10O3
MOLECULAR WEIGHT: 202.206
SMILES: C1=CC=C2C=C(C=CC2=C1)OCC(=O)O
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Product OPENEYE NAME: 1-(3,4-dimethoxyphenyl)propan-2-amine
CAS Name: 1-(3,4-dimethoxyphenyl)-2-propanamine
IUPAC NAME: 1-(3,4-dimethoxyphenyl)propan-2-amine
SYSTEMATIC NAME: 1-(3,4-dimethoxyphenyl)propan-2-amine
MOLECULAR FORMULA: C11H17NO2
MOLECULAR WEIGHT: 195.25818
SMILES: CC(CC1=CC(=C(C=C1)OC)OC)N
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Product OPENEYE NAME: 8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CAS Name: 8-methyl-8-azabicyclo[3.2.1]octan-3-ol
IUPAC NAME: 8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SYSTEMATIC NAME: 8-methyl-8-azabicyclo[3.2.1]octan-3-ol
MOLECULAR FORMULA: C8H15NO
MOLECULAR WEIGHT: 141.2108
SMILES: CN1C2CCC1CC(C2)O
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Product OPENEYE NAME: 2-benzyl-4-chloro-phenol
CAS Name: 4-chloro-2-(phenylmethyl)phenol
IUPAC NAME: 2-benzyl-4-chlorophenol
SYSTEMATIC NAME: 4-chloranyl-2-(phenylmethyl)phenol
MOLECULAR FORMULA: C13H11ClO
MOLECULAR WEIGHT: 218.67884
SMILES: C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O
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Product OPENEYE NAME: 3-amino-4-methoxy-N-phenyl-benzamide
CAS Name: 3-amino-4-methoxy-N-phenylbenzamide
IUPAC NAME: 3-amino-4-methoxy-N-phenylbenzamide
SYSTEMATIC NAME: 3-azanyl-4-methoxy-N-phenyl-benzamide
MOLECULAR FORMULA: C14H14N2O2
MOLECULAR WEIGHT: 242.27316
SMILES: COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)N
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Product OPENEYE NAME: 2-(2,4-dichlorophenoxy)propanoic acid
CAS Name: 2-(2,4-dichlorophenoxy)propanoic acid
IUPAC NAME: 2-(2,4-dichlorophenoxy)propanoic acid
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]propanoic acid
MOLECULAR FORMULA: C9H8Cl2O3
MOLECULAR WEIGHT: 235.06402
SMILES: CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl
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Product OPENEYE NAME: 3-(ethylamino)-4-methyl-phenol
CAS Name: 3-(ethylamino)-4-methylphenol
IUPAC NAME: 3-(ethylamino)-4-methylphenol
SYSTEMATIC NAME: 3-(ethylamino)-4-methyl-phenol
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: CCNC1=C(C=CC(=C1)O)C
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Product OPENEYE NAME: pentyl 2-(2,4,5-trichlorophenoxy)acetate
CAS Name: 2-(2,4,5-trichlorophenoxy)acetic acid pentyl ester
IUPAC NAME: pentyl 2-(2,4,5-trichlorophenoxy)acetate
SYSTEMATIC NAME: pentyl 2-[2,4,5-tris(chloranyl)phenoxy]ethanoate
MOLECULAR FORMULA: C13H15Cl3O3
MOLECULAR WEIGHT: 325.6154
SMILES: CCCCCOC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl
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Product OPENEYE NAME: N,N-bis(2-hydroxyethyl)dodecanamide
CAS Name: N,N-bis(2-hydroxyethyl)dodecanamide
IUPAC NAME: N,N-bis(2-hydroxyethyl)dodecanamide
SYSTEMATIC NAME: N,N-bis(2-hydroxyethyl)dodecanamide
MOLECULAR FORMULA: C16H33NO3
MOLECULAR WEIGHT: 287.43812
SMILES: CCCCCCCCCCCC(=O)N(CCO)CCO
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Product OPENEYE NAME: ethyl piperazine-1-carboxylate
CAS Name: 1-piperazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl piperazine-1-carboxylate
SYSTEMATIC NAME: ethyl piperazine-1-carboxylate
MOLECULAR FORMULA: C7H14N2O2
MOLECULAR WEIGHT: 158.19826
SMILES: CCOC(=O)N1CCNCC1
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Product OPENEYE NAME: 1-phenylethyl propanoate
CAS Name: propanoic acid 1-phenylethyl ester
IUPAC NAME: 1-phenylethyl propanoate
SYSTEMATIC NAME: 1-phenylethyl propanoate
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CCC(=O)OC(C)C1=CC=CC=C1
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Product OPENEYE NAME: 1,3-diphenylpropane-1,3-dione
CAS Name: 1,3-diphenylpropane-1,3-dione
IUPAC NAME: 1,3-diphenylpropane-1,3-dione
SYSTEMATIC NAME: 1,3-diphenylpropane-1,3-dione
MOLECULAR FORMULA: C15H12O2
MOLECULAR WEIGHT: 224.25458
SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
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