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MOLECULAR FORMULA: C12H13ClN2
MOLECULAR WEIGHT: 220.69802
SMILES: CC1C2=C3C(=CNC3=C(C=C2)Cl)CCN1
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MOLECULAR FORMULA: C13H15ClN2O
MOLECULAR WEIGHT: 250.724
SMILES: CC1C2=C3C(=C(NC3=C(C=C2)Cl)CO)CCN1
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MOLECULAR FORMULA: C13H15ClN2
MOLECULAR WEIGHT: 234.7246
SMILES: CC1C2=C3C(=CNC3=C(C=C2)Cl)CCN1C
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Product OPENEYE NAME: 1-(aziridin-1-yl)octadecan-1-one
CAS Name: 1-(1-aziridinyl)-1-octadecanone
IUPAC NAME: 1-(aziridin-1-yl)octadecan-1-one
SYSTEMATIC NAME: 1-(aziridin-1-yl)octadecan-1-one
MOLECULAR FORMULA: C20H39NO
MOLECULAR WEIGHT: 309.52976
SMILES: CCCCCCCCCCCCCCCCCC(=O)N1CC1
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Product OPENEYE NAME: 2,6,10-trimethyldodecane
CAS Name: 2,6,10-trimethyldodecane
IUPAC NAME: 2,6,10-trimethyldodecane
SYSTEMATIC NAME: 2,6,10-trimethyldodecane
MOLECULAR FORMULA: C15H32
MOLECULAR WEIGHT: 212.41458
SMILES: CCC(C)CCCC(C)CCCC(C)C
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Product OPENEYE NAME: 2,6,10-trimethyltridecane
CAS Name: 2,6,10-trimethyltridecane
IUPAC NAME: 2,6,10-trimethyltridecane
SYSTEMATIC NAME: 2,6,10-trimethyltridecane
MOLECULAR FORMULA: C16H34
MOLECULAR WEIGHT: 226.44116
SMILES: CCCC(C)CCCC(C)CCCC(C)C
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Product OPENEYE NAME: 2,6,10-trimethylpentadecane
CAS Name: 2,6,10-trimethylpentadecane
IUPAC NAME: 2,6,10-trimethylpentadecane
SYSTEMATIC NAME: 2,6,10-trimethylpentadecane
MOLECULAR FORMULA: C18H38
MOLECULAR WEIGHT: 254.49432
SMILES: CCCCCC(C)CCCC(C)CCCC(C)C
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Product OPENEYE NAME: N-ethyl-2-hydroxy-3-isopropyl-6-methyl-benzamide
CAS Name: N-ethyl-2-hydroxy-6-methyl-3-propan-2-ylbenzamide
IUPAC NAME: N-ethyl-2-hydroxy-6-methyl-3-propan-2-ylbenzamide
SYSTEMATIC NAME: N-ethyl-6-methyl-2-oxidanyl-3-propan-2-yl-benzamide
MOLECULAR FORMULA: C13H19NO2
MOLECULAR WEIGHT: 221.29546
SMILES: CCNC(=O)C1=C(C=CC(=C1O)C(C)C)C
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Product OPENEYE NAME: N-benzyl-2-hydroxy-3-isopropyl-6-methyl-benzamide
CAS Name: 2-hydroxy-6-methyl-N-(phenylmethyl)-3-propan-2-ylbenzamide
IUPAC NAME: N-benzyl-2-hydroxy-6-methyl-3-propan-2-ylbenzamide
SYSTEMATIC NAME: 6-methyl-2-oxidanyl-N-(phenylmethyl)-3-propan-2-yl-benzamide
MOLECULAR FORMULA: C18H21NO2
MOLECULAR WEIGHT: 283.36484
SMILES: CC1=C(C(=C(C=C1)C(C)C)O)C(=O)NCC2=CC=CC=C2
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Product OPENEYE NAME: N-(4-hydroxyphenyl)-3-isopropyl-2-methoxy-6-methyl-benzamide
CAS Name: N-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-ylbenzamide
IUPAC NAME: N-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-ylbenzamide
SYSTEMATIC NAME: N-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-yl-benzamide
MOLECULAR FORMULA: C18H21NO3
MOLECULAR WEIGHT: 299.36424
SMILES: CC1=C(C(=C(C=C1)C(C)C)OC)C(=O)NC2=CC=C(C=C2)O
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Product OPENEYE NAME: [2-[(2-acetoxy-2-phenyl-ethyl)carbamoyl]-6-isopropyl-3-methyl-phenyl] acetate
CAS Name: acetic acid [2-[[(2-acetyloxy-2-phenylethyl)amino]-oxomethyl]-3-methyl-6-propan-2-ylphenyl] ester
IUPAC NAME: [2-[(2-acetyloxy-2-phenylethyl)carbamoyl]-3-methyl-6-propan-2-ylphenyl] acetate
SYSTEMATIC NAME: [2-[(2-acetyloxy-2-phenyl-ethyl)carbamoyl]-3-methyl-6-propan-2-yl-phenyl] ethanoate
MOLECULAR FORMULA: C23H27NO5
MOLECULAR WEIGHT: 397.46418
SMILES: CC1=C(C(=C(C=C1)C(C)C)OC(=O)C)C(=O)NCC(C2=CC=CC=C2)OC(=O)C
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Product OPENEYE NAME: 2-[(2-acetoxy-3-isopropyl-6-methyl-benzoyl)amino]ethyl acetate
CAS Name: acetic acid 2-[[(2-acetyloxy-6-methyl-3-propan-2-ylphenyl)-oxomethyl]amino]ethyl ester
IUPAC NAME: 2-[(2-acetyloxy-6-methyl-3-propan-2-ylbenzoyl)amino]ethyl acetate
SYSTEMATIC NAME: 2-[(2-acetyloxy-6-methyl-3-propan-2-yl-phenyl)carbonylamino]ethyl ethanoate
MOLECULAR FORMULA: C17H23NO5
MOLECULAR WEIGHT: 321.36822
SMILES: CC1=C(C(=C(C=C1)C(C)C)OC(=O)C)C(=O)NCCOC(=O)C
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Product OPENEYE NAME: [6-isopropyl-3-methyl-2-(2-phenylethylcarbamoyl)phenyl] acetate
CAS Name: acetic acid [3-methyl-2-[oxo-(2-phenylethylamino)methyl]-6-propan-2-ylphenyl] ester
IUPAC NAME: [3-methyl-2-(2-phenylethylcarbamoyl)-6-propan-2-ylphenyl] acetate
SYSTEMATIC NAME: [3-methyl-2-(2-phenylethylcarbamoyl)-6-propan-2-yl-phenyl] ethanoate
MOLECULAR FORMULA: C21H25NO3
MOLECULAR WEIGHT: 339.4281
SMILES: CC1=C(C(=C(C=C1)C(C)C)OC(=O)C)C(=O)NCCC2=CC=CC=C2
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Product OPENEYE NAME: 1-[2-(2-ethoxyethoxy)ethoxy]butane
CAS Name: 1-[2-(2-ethoxyethoxy)ethoxy]butane
IUPAC NAME: 1-[2-(2-ethoxyethoxy)ethoxy]butane
SYSTEMATIC NAME: 1-[2-(2-ethoxyethoxy)ethoxy]butane
MOLECULAR FORMULA: C10H22O3
MOLECULAR WEIGHT: 190.27988
SMILES: CCCCOCCOCCOCC
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Product OPENEYE NAME: 8-[4-(4-fluorophenyl)-4-oxo-butyl]-1,3-dimethyl-3,8-diazaspiro[4.5]decane-2,4-dione
CAS Name: 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethyl-3,8-diazaspiro[4.5]decane-2,4-dione
IUPAC NAME: 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethyl-3,8-diazaspiro[4.5]decane-2,4-dione
SYSTEMATIC NAME: 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1,3-dimethyl-3,8-diazaspiro[4.5]decane-2,4-dione
MOLECULAR FORMULA: C20H25FN2O3
MOLECULAR WEIGHT: 360.422503
SMILES: CC1C(=O)N(C(=O)C12CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C
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Product OPENEYE NAME: bis(2-chloroethyl)-[4-(diethylammonio)butyl]ammonium dichloride
CAS Name: bis(2-chloroethyl)-[4-(diethylammonio)butyl]ammonium dichloride
IUPAC NAME: bis(2-chloroethyl)-[4-(diethylazaniumyl)butyl]azanium dichloride
SYSTEMATIC NAME: bis(2-chloroethyl)-[4-(diethylazaniumyl)butyl]azanium dichloride
MOLECULAR FORMULA: C12H28Cl4N2
MOLECULAR WEIGHT: 342.17612
SMILES: CC[NH+](CC)CCCC[NH+](CCCl)CCCl.[Cl-].[Cl-]
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Product OPENEYE NAME: N',N'-bis(2-chloroethyl)-N,N-diethyl-butane-1,4-diamine
CAS Name: N',N'-bis(2-chloroethyl)-N,N-diethylbutane-1,4-diamine
IUPAC NAME: N',N'-bis(2-chloroethyl)-N,N-diethylbutane-1,4-diamine
SYSTEMATIC NAME: N',N'-bis(2-chloroethyl)-N,N-diethyl-butane-1,4-diamine
MOLECULAR FORMULA: C12H26Cl2N2
MOLECULAR WEIGHT: 269.25424
SMILES: CCN(CC)CCCCN(CCCl)CCCl
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Product OPENEYE NAME: hexyl dihydrogen phosphate
CAS Name: hexyl dihydrogen phosphate
IUPAC NAME: hexyl dihydrogen phosphate
SYSTEMATIC NAME: hexyl dihydrogen phosphate
MOLECULAR FORMULA: C6H15O4P
MOLECULAR WEIGHT: 182.154661
SMILES: CCCCCCOP(=O)(O)O
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