Product OPENEYE NAME: quinoline-4-carboxylic acid
CAS Name: 4-quinolinecarboxylic acid
IUPAC NAME: quinoline-4-carboxylic acid
SYSTEMATIC NAME: quinoline-4-carboxylic acid
MOLECULAR FORMULA: C10H7NO2
MOLECULAR WEIGHT: 173.16808
SMILES: C1=CC=C2C(=C1)C(=CC=N2)C(=O)O
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MOLECULAR FORMULA: C12H16N2O
MOLECULAR WEIGHT: 204.26824
SMILES: CC1C2CNCC1C3=CC=CC(=O)N3C2
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MOLECULAR FORMULA: C15H20N2O
MOLECULAR WEIGHT: 244.3321
SMILES: C1CCN2CC3CC([C@H]2C1)CN4C3=CC=CC4=O
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Product OPENEYE NAME: bis(1-naphthyl)diazene
CAS Name: bis(1-naphthalenyl)diazene
IUPAC NAME: dinaphthalen-1-yldiazene
SYSTEMATIC NAME: dinaphthalen-1-yldiazene
MOLECULAR FORMULA: C20H14N2
MOLECULAR WEIGHT: 282.33856
SMILES: C1=CC=C2C(=C1)C=CC=C2N=NC3=CC=CC4=CC=CC=C43
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Product OPENEYE NAME: 5-allyl-1,2,3-trimethoxy-benzene
CAS Name: 1,2,3-trimethoxy-5-prop-2-enylbenzene
IUPAC NAME: 1,2,3-trimethoxy-5-prop-2-enylbenzene
SYSTEMATIC NAME: 1,2,3-trimethoxy-5-prop-2-enyl-benzene
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: COC1=CC(=CC(=C1OC)OC)CC=C
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Product OPENEYE NAME: 3-(1-methylpyrrol-2-yl)pyridine
CAS Name: 3-(1-methyl-2-pyrrolyl)pyridine
IUPAC NAME: 3-(1-methylpyrrol-2-yl)pyridine
SYSTEMATIC NAME: 3-(1-methylpyrrol-2-yl)pyridine
MOLECULAR FORMULA: C10H10N2
MOLECULAR WEIGHT: 158.1998
SMILES: CN1C=CC=C1C2=CN=CC=C2
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Product OPENEYE NAME: 1H-pteridine-2,4-dione
CAS Name: 1H-pteridine-2,4-dione
IUPAC NAME: 1H-pteridine-2,4-dione
SYSTEMATIC NAME: 1H-pteridine-2,4-dione
MOLECULAR FORMULA: C6H4N4O2
MOLECULAR WEIGHT: 164.12156
SMILES: C1=CN=C2C(=N1)C(=O)NC(=O)N2
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Product OPENEYE NAME: 2-phenylchroman-4-one
CAS Name: 2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: 2-phenyl-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 2-phenyl-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C15H12O2
MOLECULAR WEIGHT: 224.25458
SMILES: C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-acetyl-2-hydroxy-benzamide
CAS Name: N-acetyl-2-hydroxybenzamide
IUPAC NAME: N-acetyl-2-hydroxybenzamide
SYSTEMATIC NAME: N-ethanoyl-2-oxidanyl-benzamide
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: CC(=O)NC(=O)C1=CC=CC=C1O
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Product OPENEYE NAME: 2-[(2-hydroxybenzoyl)amino]acetic acid
CAS Name: 2-[[(2-hydroxyphenyl)-oxomethyl]amino]acetic acid
IUPAC NAME: 2-[(2-hydroxybenzoyl)amino]acetic acid
SYSTEMATIC NAME: 2-[(2-hydroxyphenyl)carbonylamino]ethanoic acid
MOLECULAR FORMULA: C9H9NO4
MOLECULAR WEIGHT: 195.17206
SMILES: C1=CC=C(C(=C1)C(=O)NCC(=O)O)O
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Product OPENEYE NAME: 2,4,6-trimethylbenzaldehyde
CAS Name: 2,4,6-trimethylbenzaldehyde
IUPAC NAME: 2,4,6-trimethylbenzaldehyde
SYSTEMATIC NAME: 2,4,6-trimethylbenzaldehyde
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: CC1=CC(=C(C(=C1)C)C=O)C
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Product OPENEYE NAME: (2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid
CAS Name: (2S,3S,4S)-3-(carboxymethyl)-4-(1-methylethenyl)-2-pyrrolidinecarboxylic acid
IUPAC NAME: (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S)-3-(2-hydroxy-2-oxoethyl)-4-prop-1-en-2-yl-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C10H15NO4
MOLECULAR WEIGHT: 213.2304
SMILES: CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O
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Product OPENEYE NAME: 1H-indole-3-carbaldehyde
CAS Name: 1H-indole-3-carboxaldehyde
IUPAC NAME: 1H-indole-3-carbaldehyde
SYSTEMATIC NAME: 1H-indole-3-carbaldehyde
MOLECULAR FORMULA: C9H7NO
MOLECULAR WEIGHT: 145.15798
SMILES: C1=CC=C2C(=C1)C(=CN2)C=O
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Product OPENEYE NAME: 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol
CAS Name: 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol
IUPAC NAME: 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol
SYSTEMATIC NAME: 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol
MOLECULAR FORMULA: C12H16N2O
MOLECULAR WEIGHT: 204.26824
SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)O
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Product OPENEYE NAME: 1H-indol-3-yl hydrogen sulfate
CAS Name: sulfuric acid 1H-indol-3-yl ester
IUPAC NAME: 1H-indol-3-yl hydrogen sulfate
SYSTEMATIC NAME: 1H-indol-3-yl hydrogen sulfate
MOLECULAR FORMULA: C8H7NO4S
MOLECULAR WEIGHT: 213.21048
SMILES: C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)O
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Product OPENEYE NAME: 5,6,7,8-tetrahydro-3H-pyrrolizin-1-ylmethyl 2-hydroxy-2-isopropyl-3-methoxy-butanoate
CAS Name: 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoic acid 5,6,7,8-tetrahydro-3H-pyrrolizin-1-ylmethyl ester
IUPAC NAME: 5,6,7,8-tetrahydro-3H-pyrrolizin-1-ylmethyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
SYSTEMATIC NAME: 5,6,7,8-tetrahydro-3H-pyrrolizin-1-ylmethyl 2-(1-methoxyethyl)-3-methyl-2-oxidanyl-butanoate
MOLECULAR FORMULA: C16H27NO4
MOLECULAR WEIGHT: 297.38988
SMILES: CC(C)C(C(C)OC)(C(=O)OCC1=CCN2C1CCC2)O
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Product OPENEYE NAME: 3-methyl-2-pent-2-enyl-cyclopent-2-en-1-one
CAS Name: 3-methyl-2-pent-2-enyl-1-cyclopent-2-enone
IUPAC NAME: 3-methyl-2-pent-2-enylcyclopent-2-en-1-one
SYSTEMATIC NAME: 3-methyl-2-pent-2-enyl-cyclopent-2-en-1-one
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: CCC=CCC1=C(CCC1=O)C
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Product OPENEYE NAME: 2,3-dimethylbut-2-enedioic acid
CAS Name: 2,3-dimethyl-2-butenedioic acid
IUPAC NAME: 2,3-dimethylbut-2-enedioic acid
SYSTEMATIC NAME: 2,3-dimethylbut-2-enedioic acid
MOLECULAR FORMULA: C6H8O4
MOLECULAR WEIGHT: 144.12532
SMILES: CC(=C(C)C(=O)O)C(=O)O
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Product OPENEYE NAME: 1,2,3,4-tetramethylbenzene
CAS Name: 1,2,3,4-tetramethylbenzene
IUPAC NAME: 1,2,3,4-tetramethylbenzene
SYSTEMATIC NAME: 1,2,3,4-tetramethylbenzene
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: CC1=C(C(=C(C=C1)C)C)C
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Product OPENEYE NAME: 2,3,4,5-tetrahydroxypentanoic acid
CAS Name: 2,3,4,5-tetrahydroxypentanoic acid
IUPAC NAME: 2,3,4,5-tetrahydroxypentanoic acid
SYSTEMATIC NAME: 2,3,4,5-tetrakis(oxidanyl)pentanoic acid
MOLECULAR FORMULA: C5H10O6
MOLECULAR WEIGHT: 166.1293
SMILES: C(C(C(C(C(=O)O)O)O)O)O
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Product OPENEYE NAME: 2,3,4,5,6-pentachlorophenolate; trimethyl(octadecyl)ammonium
CAS Name: 2,3,4,5,6-pentachlorophenolate; trimethyl(octadecyl)ammonium
IUPAC NAME: 2,3,4,5,6-pentachlorophenolate; trimethyl(octadecyl)azanium
SYSTEMATIC NAME: 2,3,4,5,6-pentakis(chloranyl)phenolate; trimethyl(octadecyl)azanium
MOLECULAR FORMULA: C27H46Cl5NO
MOLECULAR WEIGHT: 577.92524
SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)C.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-]
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Product OPENEYE NAME: 6-aminohexane-1,2,3,4,5-pentol
CAS Name: 6-aminohexane-1,2,3,4,5-pentol
IUPAC NAME: 6-aminohexane-1,2,3,4,5-pentol
SYSTEMATIC NAME: 6-azanylhexane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C6H15NO5
MOLECULAR WEIGHT: 181.187
SMILES: C(C(C(C(C(CO)O)O)O)O)N
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Product OPENEYE NAME: [(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CAS Name: [(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)-2-oxolanyl]methyl dihydrogen phosphate
IUPAC NAME: [(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4S,5R)-2,3,4-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C6H14O12P2
MOLECULAR WEIGHT: 340.115682
SMILES: C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O
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Product OPENEYE NAME: furan-3-carboxylic acid
CAS Name: 3-furancarboxylic acid
IUPAC NAME: furan-3-carboxylic acid
SYSTEMATIC NAME: furan-3-carboxylic acid
MOLECULAR FORMULA: C5H4O3
MOLECULAR WEIGHT: 112.08346
SMILES: C1=COC=C1C(=O)O
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