Product OPENEYE NAME: 1-(2-hydroxy-4-methoxy-phenyl)ethanone
CAS Name: 1-(2-hydroxy-4-methoxyphenyl)ethanone
IUPAC NAME: 1-(2-hydroxy-4-methoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(4-methoxy-2-oxidanyl-phenyl)ethanone
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CC(=O)C1=C(C=C(C=C1)OC)O
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Product OPENEYE NAME: 1-(chloromethyl)-2-methyl-benzene
CAS Name: 1-(chloromethyl)-2-methylbenzene
IUPAC NAME: 1-(chloromethyl)-2-methylbenzene
SYSTEMATIC NAME: 1-(chloromethyl)-2-methyl-benzene
MOLECULAR FORMULA: C8H9Cl
MOLECULAR WEIGHT: 140.61006
SMILES: CC1=CC=CC=C1CCl
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Product OPENEYE NAME: naphthalen-1-amine hydrochloride
CAS Name: 1-naphthalenamine hydrochloride
IUPAC NAME: naphthalen-1-amine hydrochloride
SYSTEMATIC NAME: naphthalen-1-amine hydrochloride
MOLECULAR FORMULA: C10H10ClN
MOLECULAR WEIGHT: 179.6461
SMILES: C1=CC=C2C(=C1)C=CC=C2N.Cl
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Product OPENEYE NAME: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-4-one
CAS Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C15H12O6
MOLECULAR WEIGHT: 288.25218
SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
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Product OPENEYE NAME: 9-methyl-9-azabicyclo[3.3.1]nonan-3-one
CAS Name: 9-methyl-9-azabicyclo[3.3.1]nonan-3-one
IUPAC NAME: 9-methyl-9-azabicyclo[3.3.1]nonan-3-one
SYSTEMATIC NAME: 9-methyl-9-azabicyclo[3.3.1]nonan-3-one
MOLECULAR FORMULA: C9H15NO
MOLECULAR WEIGHT: 153.2215
SMILES: CN1C2CCCC1CC(=O)C2
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Product OPENEYE NAME: 4-[2-(4-hydroxyphenyl)-1-methyl-prop-1-enyl]phenol
CAS Name: 4-[3-(4-hydroxyphenyl)but-2-en-2-yl]phenol
IUPAC NAME: 4-[3-(4-hydroxyphenyl)but-2-en-2-yl]phenol
SYSTEMATIC NAME: 4-[3-(4-hydroxyphenyl)but-2-en-2-yl]phenol
MOLECULAR FORMULA: C16H16O2
MOLECULAR WEIGHT: 240.29704
SMILES: CC(=C(C)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
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Product OPENEYE NAME: N-methyl-N-phenyl-aniline
CAS Name: N-methyl-N-phenylaniline
IUPAC NAME: N-methyl-N-phenylaniline
SYSTEMATIC NAME: N-methyl-N-phenyl-aniline
MOLECULAR FORMULA: C13H13N
MOLECULAR WEIGHT: 183.24902
SMILES: CN(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: 4-(2-amino-1-hydroxy-propyl)phenol
CAS Name: 4-(2-amino-1-hydroxypropyl)phenol
IUPAC NAME: 4-(2-amino-1-hydroxypropyl)phenol
SYSTEMATIC NAME: 4-(2-azanyl-1-oxidanyl-propyl)phenol
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: CC(C(C1=CC=C(C=C1)O)O)N
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Product OPENEYE NAME: 1,2-bis(2-furyl)-2-hydroxy-ethanone
CAS Name: 1,2-bis(2-furanyl)-2-hydroxyethanone
IUPAC NAME: 1,2-bis(furan-2-yl)-2-hydroxyethanone
SYSTEMATIC NAME: 1,2-bis(furan-2-yl)-2-oxidanyl-ethanone
MOLECULAR FORMULA: C10H8O4
MOLECULAR WEIGHT: 192.16812
SMILES: C1=COC(=C1)C(C(=O)C2=CC=CO2)O
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Product OPENEYE NAME: 2-nitrobenzaldehyde
CAS Name: 2-nitrobenzaldehyde
IUPAC NAME: 2-nitrobenzaldehyde
SYSTEMATIC NAME: 2-nitrobenzaldehyde
MOLECULAR FORMULA: C7H5NO3
MOLECULAR WEIGHT: 151.1195
SMILES: C1=CC=C(C(=C1)C=O)[N+](=O)[O-]
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Product OPENEYE NAME: hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-yl-amino]ethyl]-dimethyl-ammonium bromide
CAS Name: hexadecyl-[2-[(4-methoxyphenyl)methyl-(2-pyrimidinyl)amino]ethyl]-dimethylammonium bromide
IUPAC NAME: hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-ylamino]ethyl]-dimethylazanium bromide
SYSTEMATIC NAME: hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-yl-amino]ethyl]-dimethyl-azanium bromide
MOLECULAR FORMULA: C32H55BrN4O
MOLECULAR WEIGHT: 591.7093
SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2.[Br-]
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Product OPENEYE NAME: 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
CAS Name: 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
IUPAC NAME: 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
SYSTEMATIC NAME: 3-[8,13-bis(1-hydroxyethyl)-18-(3-hydroxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
MOLECULAR FORMULA: C34H38N4O6
MOLECULAR WEIGHT: 598.68872
SMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O
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Product OPENEYE NAME: bis(2-methoxyphenyl) carbonate
CAS Name: carbonic acid bis(2-methoxyphenyl) ester
IUPAC NAME: bis(2-methoxyphenyl) carbonate
SYSTEMATIC NAME: bis(2-methoxyphenyl) carbonate
MOLECULAR FORMULA: C15H14O5
MOLECULAR WEIGHT: 274.26866
SMILES: COC1=CC=CC=C1OC(=O)OC2=CC=CC=C2OC
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Product OPENEYE NAME: N8,N8,3-trimethylphenazine-2,8-diamine hydrochloride
CAS Name: N8,N8,3-trimethylphenazine-2,8-diamine hydrochloride
IUPAC NAME: 8-N,8-N,3-trimethylphenazine-2,8-diamine hydrochloride
SYSTEMATIC NAME: N8,N8,3-trimethylphenazine-2,8-diamine hydrochloride
MOLECULAR FORMULA: C15H17ClN4
MOLECULAR WEIGHT: 288.77528
SMILES: CC1=CC2=NC3=C(C=C(C=C3)N(C)C)N=C2C=C1N.Cl
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Product OPENEYE NAME: N8,N8,3-trimethylphenazine-2,8-diamine
CAS Name: N8,N8,3-trimethylphenazine-2,8-diamine
IUPAC NAME: 8-N,8-N,3-trimethylphenazine-2,8-diamine
SYSTEMATIC NAME: N8,N8,3-trimethylphenazine-2,8-diamine
MOLECULAR FORMULA: C15H16N4
MOLECULAR WEIGHT: 252.31434
SMILES: CC1=CC2=NC3=C(C=C(C=C3)N(C)C)N=C2C=C1N
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Product OPENEYE NAME: 4-(4-pyridyl)pyridine
CAS Name: 4-pyridin-4-ylpyridine
IUPAC NAME: 4-pyridin-4-ylpyridine
SYSTEMATIC NAME: 4-pyridin-4-ylpyridine
MOLECULAR FORMULA: C10H8N2
MOLECULAR WEIGHT: 156.18392
SMILES: C1=CN=CC=C1C2=CC=NC=C2
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Product OPENEYE NAME: N,N-bis(2-chloroethyl)aniline
CAS Name: N,N-bis(2-chloroethyl)aniline
IUPAC NAME: N,N-bis(2-chloroethyl)aniline
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)aniline
MOLECULAR FORMULA: C10H13Cl2N
MOLECULAR WEIGHT: 218.12292
SMILES: C1=CC=C(C=C1)N(CCCl)CCCl
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Product OPENEYE NAME: 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride
CAS Name: 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride
IUPAC NAME: 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride
SYSTEMATIC NAME: 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride
MOLECULAR FORMULA: C12H16ClNO2
MOLECULAR WEIGHT: 241.71394
SMILES: C[N+]1=CC2=CC(=C(C=C2CC1)OC)OC.[Cl-]
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Product OPENEYE NAME: 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium
CAS Name: 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium
IUPAC NAME: 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium
SYSTEMATIC NAME: 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium
MOLECULAR FORMULA: C12H16NO2+
MOLECULAR WEIGHT: 206.26094
SMILES: C[N+]1=CC2=CC(=C(C=C2CC1)OC)OC
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Product OPENEYE NAME: acridine-3,6-diamine; sulfuric acid
CAS Name: acridine-3,6-diamine; sulfuric acid
IUPAC NAME: acridine-3,6-diamine; sulfuric acid
SYSTEMATIC NAME: acridine-3,6-diamine; sulfuric acid
MOLECULAR FORMULA: C13H13N3O4S
MOLECULAR WEIGHT: 307.32502
SMILES: C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.OS(=O)(=O)O
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Product OPENEYE NAME: pyridine-3-carbohydrazide
CAS Name: 3-pyridinecarbohydrazide
IUPAC NAME: pyridine-3-carbohydrazide
SYSTEMATIC NAME: pyridine-3-carbohydrazide
MOLECULAR FORMULA: C6H7N3O
MOLECULAR WEIGHT: 137.13928
SMILES: C1=CC(=CN=C1)C(=O)NN
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Product OPENEYE NAME: 2-(isobutylamino)ethyl 3-aminobenzoate hydrochloride
CAS Name: 3-aminobenzoic acid 2-(2-methylpropylamino)ethyl ester hydrochloride
IUPAC NAME: 2-(2-methylpropylamino)ethyl 3-aminobenzoate hydrochloride
SYSTEMATIC NAME: 2-(2-methylpropylamino)ethyl 3-azanylbenzoate hydrochloride
MOLECULAR FORMULA: C13H21ClN2O2
MOLECULAR WEIGHT: 272.77104
SMILES: CC(C)CNCCOC(=O)C1=CC(=CC=C1)N.Cl
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Product OPENEYE NAME: 2-(isobutylamino)ethyl 3-aminobenzoate
CAS Name: 3-aminobenzoic acid 2-(2-methylpropylamino)ethyl ester
IUPAC NAME: 2-(2-methylpropylamino)ethyl 3-aminobenzoate
SYSTEMATIC NAME: 2-(2-methylpropylamino)ethyl 3-azanylbenzoate
MOLECULAR FORMULA: C13H20N2O2
MOLECULAR WEIGHT: 236.3101
SMILES: CC(C)CNCCOC(=O)C1=CC(=CC=C1)N
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Product OPENEYE NAME: 2-(isobutylamino)ethyl 4-aminobenzoate hydrochloride
CAS Name: 4-aminobenzoic acid 2-(2-methylpropylamino)ethyl ester hydrochloride
IUPAC NAME: 2-(2-methylpropylamino)ethyl 4-aminobenzoate hydrochloride
SYSTEMATIC NAME: 2-(2-methylpropylamino)ethyl 4-azanylbenzoate hydrochloride
MOLECULAR FORMULA: C13H21ClN2O2
MOLECULAR WEIGHT: 272.77104
SMILES: CC(C)CNCCOC(=O)C1=CC=C(C=C1)N.Cl
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