Product OPENEYE NAME: 6-methyl-2-(2-pyridyl)quinoline-4-carboxylic acid
CAS Name: 6-methyl-2-(2-pyridinyl)-4-quinolinecarboxylic acid
IUPAC NAME: 6-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
SYSTEMATIC NAME: 6-methyl-2-pyridin-2-yl-quinoline-4-carboxylic acid
MOLECULAR FORMULA: C16H12N2O2
MOLECULAR WEIGHT: 264.27868
SMILES: CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=N3
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Product OPENEYE NAME: 6-methyl-2-(3-pyridyl)quinoline-4-carboxylic acid
CAS Name: 6-methyl-2-(3-pyridinyl)-4-quinolinecarboxylic acid
IUPAC NAME: 6-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
SYSTEMATIC NAME: 6-methyl-2-pyridin-3-yl-quinoline-4-carboxylic acid
MOLECULAR FORMULA: C16H12N2O2
MOLECULAR WEIGHT: 264.27868
SMILES: CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CN=CC=C3
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Product OPENEYE NAME: 2-iodoethyl(trimethyl)ammonium iodide
CAS Name: 2-iodoethyl(trimethyl)ammonium iodide
IUPAC NAME: 2-iodoethyl(trimethyl)azanium iodide
SYSTEMATIC NAME: 2-iodanylethyl(trimethyl)azanium iodide
MOLECULAR FORMULA: C5H13I2N
MOLECULAR WEIGHT: 340.97236
SMILES: C[N+](C)(C)CCI.[I-]
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Product OPENEYE NAME: 2-iodoethyl(trimethyl)ammonium
CAS Name: 2-iodoethyl(trimethyl)ammonium
IUPAC NAME: 2-iodoethyl(trimethyl)azanium
SYSTEMATIC NAME: 2-iodanylethyl(trimethyl)azanium
MOLECULAR FORMULA: C5H13IN+
MOLECULAR WEIGHT: 214.06789
SMILES: C[N+](C)(C)CCI
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Product OPENEYE NAME: 2-acetamido-3-(2-boronophenyl)propanoic acid
CAS Name: 2-acetamido-3-(2-boronophenyl)propanoic acid
IUPAC NAME: 2-acetamido-3-(2-boronophenyl)propanoic acid
SYSTEMATIC NAME: 2-acetamido-3-[2-(dihydroxyboranyl)phenyl]propanoic acid
MOLECULAR FORMULA: C11H14BNO5
MOLECULAR WEIGHT: 251.04356
SMILES: B(C1=CC=CC=C1CC(C(=O)O)NC(=O)C)(O)O
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Product OPENEYE NAME: [2-(1H-indol-3-yl)-1-methyl-ethyl]ammonium acetate
CAS Name: 1-(1H-indol-3-yl)propan-2-ylammonium acetate
IUPAC NAME: 1-(1H-indol-3-yl)propan-2-ylazanium acetate
SYSTEMATIC NAME: 1-(1H-indol-3-yl)propan-2-ylazanium ethanoate
MOLECULAR FORMULA: C13H18N2O2
MOLECULAR WEIGHT: 234.29422
SMILES: CC(CC1=CNC2=CC=CC=C21)[NH3+].CC(=O)[O-]
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Product OPENEYE NAME: 2-[(1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]-N,N-dimethyl-ethanamine
CAS Name: 2-[(1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]-N,N-dimethylethanamine
IUPAC NAME: 2-[(1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-[(1-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C18H20ClNOS
MOLECULAR WEIGHT: 333.8755
SMILES: CN(C)CCOC1CC2=CC=CC=C2SC3=C1C=CC=C3Cl
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Product OPENEYE NAME: 2-[(2-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]-N,N-dimethyl-ethanamine
CAS Name: 2-[(2-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]-N,N-dimethylethanamine
IUPAC NAME: 2-[(2-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-[(2-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C18H20ClNOS
MOLECULAR WEIGHT: 333.8755
SMILES: CN(C)CCOC1CC2=CC=CC=C2SC3=C1C=CC(=C3)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H38O6
MOLECULAR WEIGHT: 470.59772
SMILES: CC1=C(COC1=O)C[C@H]([C@H](C)C2CCC3C2(CCC4C3C[C@@H]5[C@]6(C4(C(=O)C=C[C@@H]6O)C)O5)C)O
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Product OPENEYE NAME: N-benzyl-4-chloro-6-methyl-1,3,5-triazin-2-amine
CAS Name: 4-chloro-6-methyl-N-(phenylmethyl)-1,3,5-triazin-2-amine
IUPAC NAME: N-benzyl-4-chloro-6-methyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4-chloranyl-6-methyl-N-(phenylmethyl)-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C11H11ClN4
MOLECULAR WEIGHT: 234.68484
SMILES: CC1=NC(=NC(=N1)Cl)NCC2=CC=CC=C2
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Product OPENEYE NAME: 4-anilino-3-nitro-N-phenyl-benzenesulfonamide
CAS Name: 4-anilino-3-nitro-N-phenylbenzenesulfonamide
IUPAC NAME: 4-anilino-3-nitro-N-phenylbenzenesulfonamide
SYSTEMATIC NAME: 3-nitro-N-phenyl-4-phenylazanyl-benzenesulfonamide
MOLECULAR FORMULA: C18H15N3O4S
MOLECULAR WEIGHT: 369.3944
SMILES: C1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
CAS Name: 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
IUPAC NAME: 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
SYSTEMATIC NAME: 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
MOLECULAR FORMULA: C15H22N2O2
MOLECULAR WEIGHT: 262.34738
SMILES: C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O
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Product OPENEYE NAME: 2-(2-methoxyphenyl)-3,3-diphenyl-prop-2-enoic acid
CAS Name: 2-(2-methoxyphenyl)-3,3-diphenyl-2-propenoic acid
IUPAC NAME: 2-(2-methoxyphenyl)-3,3-diphenylprop-2-enoic acid
SYSTEMATIC NAME: 2-(2-methoxyphenyl)-3,3-diphenyl-prop-2-enoic acid
MOLECULAR FORMULA: C22H18O3
MOLECULAR WEIGHT: 330.37652
SMILES: COC1=CC=CC=C1C(=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
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Product OPENEYE NAME: methyl 12-methyltridecanoate
CAS Name: 12-methyltridecanoic acid methyl ester
IUPAC NAME: methyl 12-methyltridecanoate
SYSTEMATIC NAME: methyl 12-methyltridecanoate
MOLECULAR FORMULA: C15H30O2
MOLECULAR WEIGHT: 242.3975
SMILES: CC(C)CCCCCCCCCCC(=O)OC
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Product OPENEYE NAME: methyl 14-methylpentadecanoate
CAS Name: 14-methylpentadecanoic acid methyl ester
IUPAC NAME: methyl 14-methylpentadecanoate
SYSTEMATIC NAME: methyl 14-methylpentadecanoate
MOLECULAR FORMULA: C17H34O2
MOLECULAR WEIGHT: 270.45066
SMILES: CC(C)CCCCCCCCCCCCC(=O)OC
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Product OPENEYE NAME: methyl 12-methyltetradecanoate
CAS Name: 12-methyltetradecanoic acid methyl ester
IUPAC NAME: methyl 12-methyltetradecanoate
SYSTEMATIC NAME: methyl 12-methyltetradecanoate
MOLECULAR FORMULA: C16H32O2
MOLECULAR WEIGHT: 256.42408
SMILES: CCC(C)CCCCCCCCCCC(=O)OC
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Product OPENEYE NAME: 2-diethoxyphosphinothioylisoindoline-1,3-dione
CAS Name: 2-diethoxyphosphinothioylisoindole-1,3-dione
IUPAC NAME: 2-diethoxyphosphinothioylisoindole-1,3-dione
SYSTEMATIC NAME: 2-diethoxyphosphinothioylisoindole-1,3-dione
MOLECULAR FORMULA: C12H14NO4PS
MOLECULAR WEIGHT: 299.282621
SMILES: CCOP(=S)(N1C(=O)C2=CC=CC=C2C1=O)OCC
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Product OPENEYE NAME: 4-nitrobenzene-1,3-diamine
CAS Name: 4-nitrobenzene-1,3-diamine
IUPAC NAME: 4-nitrobenzene-1,3-diamine
SYSTEMATIC NAME: 4-nitrobenzene-1,3-diamine
MOLECULAR FORMULA: C6H7N3O2
MOLECULAR WEIGHT: 153.13868
SMILES: C1=CC(=C(C=C1N)N)[N+](=O)[O-]
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