Product OPENEYE NAME: 3-[2-[(4-chlorophenyl)methoxy]phenoxy]-4-hexanoyl-2H-furan-5-one
CAS Name: 3-[2-[(4-chlorophenyl)methoxy]phenoxy]-4-(1-oxohexyl)-2H-furan-5-one
IUPAC NAME: 3-[2-[(4-chlorophenyl)methoxy]phenoxy]-4-hexanoyl-2H-furan-5-one
SYSTEMATIC NAME: 3-[2-[(4-chlorophenyl)methoxy]phenoxy]-4-hexanoyl-2H-furan-5-one
MOLECULAR FORMULA: C23H23ClO5
MOLECULAR WEIGHT: 414.87872
SMILES: CCCCCC(=O)C1=C(COC1=O)OC2=CC=CC=C2OCC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 5-hydroxy-4-[2-(3-nitrophenyl)prop-2-enoyl]furan-3-one
CAS Name: 5-hydroxy-4-[2-(3-nitrophenyl)-1-oxoprop-2-enyl]-3-furanone
IUPAC NAME: 5-hydroxy-4-[2-(3-nitrophenyl)prop-2-enoyl]furan-3-one
SYSTEMATIC NAME: 4-[2-(3-nitrophenyl)prop-2-enoyl]-5-oxidanyl-furan-3-one
MOLECULAR FORMULA: C13H9NO6
MOLECULAR WEIGHT: 275.21366
SMILES: C=C(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2=C(OCC2=O)O
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Product OPENEYE NAME: 4-[(9E,12E)-octadeca-9,12-dienyl]-1-oxo-2H-thiophen-5-one
CAS Name: 4-[(9E,12E)-octadeca-9,12-dienyl]-1-oxo-2H-thiophen-5-one
IUPAC NAME: 4-[(9E,12E)-octadeca-9,12-dienyl]-1-oxo-2H-thiophen-5-one
SYSTEMATIC NAME: 4-[(9E,12E)-octadeca-9,12-dienyl]-1-oxidanylidene-2H-thiophen-5-one
MOLECULAR FORMULA: C22H36O2S
MOLECULAR WEIGHT: 364.58504
SMILES: CCCCC/C=C/C/C=C/CCCCCCCCC1=CCS(=O)C1=O
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Product OPENEYE NAME: 4-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-5-hydroxy-furan-3-one
CAS Name: 4-[(E)-3-(2,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-5-hydroxy-3-furanone
IUPAC NAME: 4-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-5-hydroxyfuran-3-one
SYSTEMATIC NAME: 4-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-5-oxidanyl-furan-3-one
MOLECULAR FORMULA: C15H14O6
MOLECULAR WEIGHT: 290.26806
SMILES: COC1=CC(=C(C=C1)OC)/C=C/C(=O)C2=C(OCC2=O)O
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Product OPENEYE NAME: [(E)-4-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxybut-2-enyl] acetate
CAS Name: acetic acid [(E)-4-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]but-2-enyl] ester
IUPAC NAME: [(E)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybut-2-enyl] acetate
SYSTEMATIC NAME: [(E)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybut-2-enyl] ethanoate
MOLECULAR FORMULA: C20H28O12
MOLECULAR WEIGHT: 460.42912
SMILES: CC(=O)OC/C=C/COC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: 2-(1H-indol-5-ylmethyl)-1H-benzimidazole
CAS Name: 2-(1H-indol-5-ylmethyl)-1H-benzimidazole
IUPAC NAME: 2-(1H-indol-5-ylmethyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-(1H-indol-5-ylmethyl)-1H-benzimidazole
MOLECULAR FORMULA: C16H13N3
MOLECULAR WEIGHT: 247.29452
SMILES: C1=CC=C2C(=C1)NC(=N2)CC3=CC4=C(C=C3)NC=C4
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Product OPENEYE NAME: 3-[1-benzyl-1-(2H-tetrazol-5-yl)-2,7a-dihydroindol-1-ium-5-yl]-2-ethyl-5,6,7-trimethyl-imidazo[4,5-b]pyridine
CAS Name: 2-ethyl-5,6,7-trimethyl-3-[1-(phenylmethyl)-1-(2H-tetrazol-5-yl)-2,7a-dihydroindol-1-ium-5-yl]imidazo[4,5-b]pyridine
IUPAC NAME: 3-[1-benzyl-1-(2H-tetrazol-5-yl)-2,7a-dihydroindol-1-ium-5-yl]-2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridine
SYSTEMATIC NAME: 2-ethyl-5,6,7-trimethyl-3-[1-(phenylmethyl)-1-(2H-1,2,3,4-tetrazol-5-yl)-2,7a-dihydroindol-1-ium-5-yl]imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C27H29N8+
MOLECULAR WEIGHT: 465.57276
SMILES: CCC1=NC2=C(N1C3=CC4=CC[N+](C4C=C3)(CC5=CC=CC=C5)C6=NNN=N6)N=C(C(=C2C)C)C
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Product OPENEYE NAME: [5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)indolin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CAS Name: [5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)-2,3-dihydroindol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
IUPAC NAME: [5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)-2,3-dihydroindol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
SYSTEMATIC NAME: [5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)-2,3-dihydroindol-1-yl]-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methanone
MOLECULAR FORMULA: C27H28N8O
MOLECULAR WEIGHT: 480.56422
SMILES: CCC1=NC2=C(N1)C(C(=C(N2C3=CC4=C(C=C3)N(CC4)C(=O)C5=CC=CC=C5C6=NNN=N6)C)C)C
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Product OPENEYE NAME: 3,6-dichloro-2-[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)indole-1-carbonyl]benzoic acid
CAS Name: 3,6-dichloro-2-[[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)-1-indolyl]-oxomethyl]benzoic acid
IUPAC NAME: 3,6-dichloro-2-[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)indole-1-carbonyl]benzoic acid
SYSTEMATIC NAME: 3,6-bis(chloranyl)-2-[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)indol-1-yl]carbonyl-benzoic acid
MOLECULAR FORMULA: C27H24Cl2N4O3
MOLECULAR WEIGHT: 523.41046
SMILES: CCC1=NC2=C(N1)C(C(=C(N2C3=CC4=C(C=C3)N(C=C4)C(=O)C5=C(C=CC(=C5C(=O)O)Cl)Cl)C)C)C
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Product OPENEYE NAME: 3,6-dichloro-2-[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)indoline-1-carbonyl]benzoic acid
CAS Name: 3,6-dichloro-2-[[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)-2,3-dihydroindol-1-yl]-oxomethyl]benzoic acid
IUPAC NAME: 3,6-dichloro-2-[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)-2,3-dihydroindole-1-carbonyl]benzoic acid
SYSTEMATIC NAME: 3,6-bis(chloranyl)-2-[[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)-2,3-dihydroindol-1-yl]carbonyl]benzoic acid
MOLECULAR FORMULA: C27H26Cl2N4O3
MOLECULAR WEIGHT: 525.42634
SMILES: CCC1=NC2=C(N1)C(C(=C(N2C3=CC4=C(C=C3)N(CC4)C(=O)C5=C(C=CC(=C5C(=O)O)Cl)Cl)C)C)C
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Product OPENEYE NAME: methyl 2-[[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)indol-1-yl]methyl]benzoate
CAS Name: 2-[[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)-1-indolyl]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 2-[[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)indol-1-yl]methyl]benzoate
SYSTEMATIC NAME: methyl 2-[[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)indol-1-yl]methyl]benzoate
MOLECULAR FORMULA: C28H30N4O2
MOLECULAR WEIGHT: 454.5634
SMILES: CCC1=NC2=C(N1)C(C(=C(N2C3=CC4=C(C=C3)N(C=C4)CC5=CC=CC=C5C(=O)OC)C)C)C
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Product OPENEYE NAME: methyl 4,5-dichloro-2-[[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)indol-1-yl]methyl]benzoate
CAS Name: 4,5-dichloro-2-[[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)-1-indolyl]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4,5-dichloro-2-[[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)indol-1-yl]methyl]benzoate
SYSTEMATIC NAME: methyl 4,5-bis(chloranyl)-2-[[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)indol-1-yl]methyl]benzoate
MOLECULAR FORMULA: C28H28Cl2N4O2
MOLECULAR WEIGHT: 523.45352
SMILES: CCC1=NC2=C(N1)C(C(=C(N2C3=CC4=C(C=C3)N(C=C4)CC5=CC(=C(C=C5C(=O)OC)Cl)Cl)C)C)C
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Product OPENEYE NAME: 2-[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)indole-1-carbonyl]benzonitrile
CAS Name: 2-[[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)-1-indolyl]-oxomethyl]benzonitrile
IUPAC NAME: 2-[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)indole-1-carbonyl]benzonitrile
SYSTEMATIC NAME: 2-[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)indol-1-yl]carbonylbenzenecarbonitrile
MOLECULAR FORMULA: C27H25N5O
MOLECULAR WEIGHT: 435.5203
SMILES: CCC1=NC2=C(N1)C(C(=C(N2C3=CC4=C(C=C3)N(C=C4)C(=O)C5=CC=CC=C5C#N)C)C)C
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Product OPENEYE NAME: 2-[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)indoline-1-carbonyl]benzoic acid
CAS Name: 2-[[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)-2,3-dihydroindol-1-yl]-oxomethyl]benzoic acid
IUPAC NAME: 2-[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)-2,3-dihydroindole-1-carbonyl]benzoic acid
SYSTEMATIC NAME: 2-[[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)-2,3-dihydroindol-1-yl]carbonyl]benzoic acid
MOLECULAR FORMULA: C27H28N4O3
MOLECULAR WEIGHT: 456.53622
SMILES: CCC1=NC2=C(N1)C(C(=C(N2C3=CC4=C(C=C3)N(CC4)C(=O)C5=CC=CC=C5C(=O)O)C)C)C
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Product OPENEYE NAME: 7-[1-methyl-3-(7-methyl-1H-indol-5-yl)propyl]-1H-imidazo[4,5-b]pyridine
CAS Name: 7-[4-(7-methyl-1H-indol-5-yl)butan-2-yl]-1H-imidazo[4,5-b]pyridine
IUPAC NAME: 7-[4-(7-methyl-1H-indol-5-yl)butan-2-yl]-1H-imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 7-[4-(7-methyl-1H-indol-5-yl)butan-2-yl]-1H-imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C19H20N4
MOLECULAR WEIGHT: 304.3889
SMILES: CC1=C2C(=CC(=C1)CCC(C)C3=C4C(=NC=C3)N=CN4)C=CN2
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Product OPENEYE NAME: 1-benzyl-5-(2-ethyl-5,6,7-trimethyl-imidazo[4,5-b]pyridin-3-yl)-2,7a-dihydroindol-1-ium-1-carboxylic acid
CAS Name: 5-(2-ethyl-5,6,7-trimethyl-3-imidazo[4,5-b]pyridinyl)-1-(phenylmethyl)-2,7a-dihydroindol-1-ium-1-carboxylic acid
IUPAC NAME: 1-benzyl-5-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)-2,7a-dihydroindol-1-ium-1-carboxylic acid
SYSTEMATIC NAME: 5-(2-ethyl-5,6,7-trimethyl-imidazo[4,5-b]pyridin-3-yl)-1-(phenylmethyl)-2,7a-dihydroindol-1-ium-1-carboxylic acid
MOLECULAR FORMULA: C27H29N4O2+
MOLECULAR WEIGHT: 441.54476
SMILES: CCC1=NC2=C(N1C3=CC4=CC[N+](C4C=C3)(CC5=CC=CC=C5)C(=O)O)N=C(C(=C2C)C)C
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Product OPENEYE NAME: 2-ethyl-5,6,7-trimethyl-4-[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]-1,7-dihydroimidazo[4,5-b]pyridine
CAS Name: 2-ethyl-5,6,7-trimethyl-4-[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-5-indolyl]-1,7-dihydroimidazo[4,5-b]pyridine
IUPAC NAME: 2-ethyl-5,6,7-trimethyl-4-[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]-1,7-dihydroimidazo[4,5-b]pyridine
SYSTEMATIC NAME: 2-ethyl-5,6,7-trimethyl-4-[1-[[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]indol-5-yl]-1,7-dihydroimidazo[4,5-b]pyridine
MOLECULAR FORMULA: C27H28N8
MOLECULAR WEIGHT: 464.56482
SMILES: CCC1=NC2=C(N1)C(C(=C(N2C3=CC4=C(C=C3)N(C=C4)CC5=CC=CC=C5C6=NNN=N6)C)C)C
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Product OPENEYE NAME: 4,5-dichloro-2-[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)indoline-1-carbonyl]benzoic acid
CAS Name: 4,5-dichloro-2-[[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)-2,3-dihydroindol-1-yl]-oxomethyl]benzoic acid
IUPAC NAME: 4,5-dichloro-2-[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)-2,3-dihydroindole-1-carbonyl]benzoic acid
SYSTEMATIC NAME: 4,5-bis(chloranyl)-2-[[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)-2,3-dihydroindol-1-yl]carbonyl]benzoic acid
MOLECULAR FORMULA: C27H26Cl2N4O3
MOLECULAR WEIGHT: 525.42634
SMILES: CCC1=NC2=C(N1)C(C(=C(N2C3=CC4=C(C=C3)N(CC4)C(=O)C5=CC(=C(C=C5C(=O)O)Cl)Cl)C)C)C
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Product OPENEYE NAME: 2-[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)indole-1-carbonyl]benzoic acid
CAS Name: 2-[[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)-1-indolyl]-oxomethyl]benzoic acid
IUPAC NAME: 2-[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)indole-1-carbonyl]benzoic acid
SYSTEMATIC NAME: 2-[5-(2-ethyl-5,6,7-trimethyl-1,7-dihydroimidazo[4,5-b]pyridin-4-yl)indol-1-yl]carbonylbenzoic acid
MOLECULAR FORMULA: C27H26N4O3
MOLECULAR WEIGHT: 454.52034
SMILES: CCC1=NC2=C(N1)C(C(=C(N2C3=CC4=C(C=C3)N(C=C4)C(=O)C5=CC=CC=C5C(=O)O)C)C)C
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