Product OPENEYE NAME: methyl (E)-7-[2-acetoxy-5-[(E)-3-cyclopentylprop-1-enyl]cyclopentyl]-2,2-di(tetrahydropyran-2-yloxy)hept-5-enoate
CAS Name: (E)-7-[2-acetyloxy-5-[(E)-3-cyclopentylprop-1-enyl]cyclopentyl]-2,2-bis(2-oxanyloxy)-5-heptenoic acid methyl ester
IUPAC NAME: methyl (E)-7-[2-acetyloxy-5-[(E)-3-cyclopentylprop-1-enyl]cyclopentyl]-2,2-bis(oxan-2-yloxy)hept-5-enoate
SYSTEMATIC NAME: methyl (E)-7-[2-acetyloxy-5-[(E)-3-cyclopentylprop-1-enyl]cyclopentyl]-2,2-bis(oxan-2-yloxy)hept-5-enoate
MOLECULAR FORMULA: C33H52O8
MOLECULAR WEIGHT: 576.76118
SMILES: CC(=O)OC1CCC(C1C/C=C/CCC(C(=O)OC)(OC2CCCCO2)OC3CCCCO3)/C=C/CC4CCCC4
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Product OPENEYE NAME: 3-hydroxy-2-methyl-pyran-4-one
CAS Name: 3-hydroxy-2-methyl-4-pyranone
IUPAC NAME: 3-hydroxy-2-methylpyran-4-one
SYSTEMATIC NAME: 2-methyl-3-oxidanyl-pyran-4-one
MOLECULAR FORMULA: C12H12O6
MOLECULAR WEIGHT: 252.22008
SMILES: CC1=C(C(=O)C=CO1)O.CC1=C(C(=O)C=CO1)O
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Product OPENEYE NAME: 3-hydroxy-2-methyl-pyran-4-one; 2,3,4,5,6-pentahydroxyhexanal
CAS Name: 3-hydroxy-2-methyl-4-pyranone; 2,3,4,5,6-pentahydroxyhexanal
IUPAC NAME: 3-hydroxy-2-methylpyran-4-one; 2,3,4,5,6-pentahydroxyhexanal
SYSTEMATIC NAME: 2-methyl-3-oxidanyl-pyran-4-one; 2,3,4,5,6-pentakis(oxidanyl)hexanal
MOLECULAR FORMULA: C18H30O15
MOLECULAR WEIGHT: 486.4218
SMILES: CC1=C(C(=O)C=CO1)O.C(C(C(C(C(C=O)O)O)O)O)O.C(C(C(C(C(C=O)O)O)O)O)O
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Product OPENEYE NAME: acetone; cyclohexane; ethanol
CAS Name: cyclohexane; ethanol; 2-propanone
IUPAC NAME: cyclohexane; ethanol; propan-2-one
SYSTEMATIC NAME: cyclohexane; ethanol; propan-2-one
MOLECULAR FORMULA: C11H24O2
MOLECULAR WEIGHT: 188.30706
SMILES: CCO.CC(=O)C.C1CCCCC1
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Product OPENEYE NAME: 4-[(4-aminophenyl)methyl]aniline; furo[3,4-f]isobenzofuran-1,3,5,7-tetrone
CAS Name: 4-[(4-aminophenyl)methyl]aniline; furo[3,4-f]isobenzofuran-1,3,5,7-tetrone
IUPAC NAME: 4-[(4-aminophenyl)methyl]aniline; furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SYSTEMATIC NAME: 4-[(4-aminophenyl)methyl]aniline; furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
MOLECULAR FORMULA: C23H16N2O6
MOLECULAR WEIGHT: 416.38294
SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.C1=C2C(=CC3=C1C(=O)OC3=O)C(=O)OC2=O
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Product OPENEYE NAME: 2-[2-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]ethoxycarbonyl]-6-[(E)-styryl]benzoic acid
CAS Name: 2-[2-[2-[(E)-3-carboxy-1-oxoprop-2-enoxy]ethoxy]ethoxy-oxomethyl]-6-[(E)-2-phenylethenyl]benzoic acid
IUPAC NAME: 2-[2-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]ethoxycarbonyl]-6-[(E)-2-phenylethenyl]benzoic acid
SYSTEMATIC NAME: 2-[2-[2-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxyethoxy]ethoxycarbonyl]-6-[(E)-2-phenylethenyl]benzoic acid
MOLECULAR FORMULA: C24H22O9
MOLECULAR WEIGHT: 454.42608
SMILES: C1=CC=C(C=C1)/C=C/C2=C(C(=CC=C2)C(=O)OCCOCCOC(=O)/C=C/C(=O)O)C(=O)O
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Product OPENEYE NAME: 2-[2-[(E)-3-carboxyprop-2-enoyl]oxy-1-methyl-ethoxy]carbonyl-6-[(E)-styryl]benzoic acid
CAS Name: 2-[1-[(E)-3-carboxy-1-oxoprop-2-enoxy]propan-2-yloxy-oxomethyl]-6-[(E)-2-phenylethenyl]benzoic acid
IUPAC NAME: 2-[1-[(E)-3-carboxyprop-2-enoyl]oxypropan-2-yloxycarbonyl]-6-[(E)-2-phenylethenyl]benzoic acid
SYSTEMATIC NAME: 2-[1-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxypropan-2-yloxycarbonyl]-6-[(E)-2-phenylethenyl]benzoic acid
MOLECULAR FORMULA: C23H20O8
MOLECULAR WEIGHT: 424.4001
SMILES: CC(COC(=O)/C=C/C(=O)O)OC(=O)C1=CC=CC(=C1C(=O)O)/C=C/C2=CC=CC=C2
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Product OPENEYE NAME: isoprene chloride
CAS Name: 2-methylbuta-1,3-diene chloride
IUPAC NAME: 2-methylbuta-1,3-diene chloride
SYSTEMATIC NAME: 2-methylbuta-1,3-diene chloride
MOLECULAR FORMULA: C5H8Cl-
MOLECULAR WEIGHT: 103.57002
SMILES: CC(=C)C=C.[Cl-]
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Product OPENEYE NAME: 2-ethoxypent-4-en-2-ol
CAS Name: 2-ethoxy-4-penten-2-ol
IUPAC NAME: 2-ethoxypent-4-en-2-ol
SYSTEMATIC NAME: 2-ethoxypent-4-en-2-ol
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: CCOC(C)(CC=C)O
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Product OPENEYE NAME: methyl 6a,12-dihydroxy-3,8,10a-trimethoxy-1-methyl-6,7,10,11-tetraoxo-tetracene-2-carboxylate
CAS Name: 6a,12-dihydroxy-3,8,10a-trimethoxy-1-methyl-6,7,10,11-tetraoxo-2-tetracenecarboxylic acid methyl ester
IUPAC NAME: methyl 6a,12-dihydroxy-3,8,10a-trimethoxy-1-methyl-6,7,10,11-tetraoxotetracene-2-carboxylate
SYSTEMATIC NAME: methyl 3,8,10a-trimethoxy-1-methyl-6a,12-bis(oxidanyl)-6,7,10,11-tetrakis(oxidanylidene)tetracene-2-carboxylate
MOLECULAR FORMULA: C24H20O11
MOLECULAR WEIGHT: 484.409
SMILES: CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)C4(C(=O)C=C(C(=O)C4(C3=O)O)OC)OC)OC)C(=O)OC
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Product OPENEYE NAME: (4-vinylphenyl)sulfonyl acetate
CAS Name: acetic acid (4-ethenylphenyl)sulfonyl ester
IUPAC NAME: (4-ethenylphenyl)sulfonyl acetate
SYSTEMATIC NAME: (4-ethenylphenyl)sulfonyl ethanoate
MOLECULAR FORMULA: C10H10O4S
MOLECULAR WEIGHT: 226.249
SMILES: CC(=O)OS(=O)(=O)C1=CC=C(C=C1)C=C
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Product OPENEYE NAME: N-(3-aminophenyl)-2-[4-(4-benzyloxyphenyl)sulfonylphenoxy]-2-chloro-4,4-dimethyl-3-oxo-pentanamide
CAS Name: N-(3-aminophenyl)-2-chloro-4,4-dimethyl-3-oxo-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide
IUPAC NAME: N-(3-aminophenyl)-2-chloro-4,4-dimethyl-3-oxo-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide
SYSTEMATIC NAME: N-(3-aminophenyl)-2-chloranyl-4,4-dimethyl-3-oxidanylidene-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide
MOLECULAR FORMULA: C32H31ClN2O6S
MOLECULAR WEIGHT: 607.11634
SMILES: CC(C)(C)C(=O)C(C(=O)NC1=CC=CC(=C1)N)(OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)Cl
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Product OPENEYE NAME: methyl dodecanoate; 3-nitro-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CAS Name: dodecanoic acid methyl ester; 3-nitro-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
IUPAC NAME: methyl dodecanoate; 3-nitro-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SYSTEMATIC NAME: methyl dodecanoate; 3-nitro-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
MOLECULAR FORMULA: C19H29NO5
MOLECULAR WEIGHT: 351.43726
SMILES: CCCCCCCCCCCC(=O)OC.C1=CC2=C(C=C1O2)[N+](=O)[O-]
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Product OPENEYE NAME: 3-chloro-4-[[1-[2,6-dichloro-4-(dimethylsulfamoyl)phenyl]-5-oxo-4H-pyrazol-3-yl]amino]benzenesulfonyl fluoride
CAS Name: 3-chloro-4-[[1-[2,6-dichloro-4-(dimethylsulfamoyl)phenyl]-5-oxo-4H-pyrazol-3-yl]amino]benzenesulfonyl fluoride
IUPAC NAME: 3-chloro-4-[[1-[2,6-dichloro-4-(dimethylsulfamoyl)phenyl]-5-oxo-4H-pyrazol-3-yl]amino]benzenesulfonyl fluoride
SYSTEMATIC NAME: 4-[[1-[2,6-bis(chloranyl)-4-(dimethylsulfamoyl)phenyl]-5-oxidanylidene-4H-pyrazol-3-yl]amino]-3-chloranyl-benzenesulfonyl fluoride
MOLECULAR FORMULA: C17H14Cl3FN4O5S2
MOLECULAR WEIGHT: 543.804263
SMILES: CN(C)S(=O)(=O)C1=CC(=C(C(=C1)Cl)N2C(=O)CC(=N2)NC3=C(C=C(C=C3)S(=O)(=O)F)Cl)Cl
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Product OPENEYE NAME: 6H-indene-1,5-dione
CAS Name: 6H-indene-1,5-dione
IUPAC NAME: 6H-indene-1,5-dione
SYSTEMATIC NAME: 6H-indene-1,5-dione
MOLECULAR FORMULA: C9H6O2
MOLECULAR WEIGHT: 146.14274
SMILES: C1C=C2C(=CC1=O)C=CC2=O
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Product OPENEYE NAME: (4-methoxyphenyl) 2-acetamido-3-methoxy-2-methyl-propanoate
CAS Name: 2-acetamido-3-methoxy-2-methylpropanoic acid (4-methoxyphenyl) ester
IUPAC NAME: (4-methoxyphenyl) 2-acetamido-3-methoxy-2-methylpropanoate
SYSTEMATIC NAME: (4-methoxyphenyl) 2-acetamido-3-methoxy-2-methyl-propanoate
MOLECULAR FORMULA: C14H19NO5
MOLECULAR WEIGHT: 281.30436
SMILES: CC(=O)NC(C)(COC)C(=O)OC1=CC=C(C=C1)OC
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Product OPENEYE NAME: 2-amino-3-methoxy-2-(4-methoxyphenyl)propanoic acid; methane
CAS Name: 2-amino-3-methoxy-2-(4-methoxyphenyl)propanoic acid; methane
IUPAC NAME: 2-amino-3-methoxy-2-(4-methoxyphenyl)propanoic acid; methane
SYSTEMATIC NAME: 2-azanyl-3-methoxy-2-(4-methoxyphenyl)propanoic acid; methane
MOLECULAR FORMULA: C12H19NO4
MOLECULAR WEIGHT: 241.28356
SMILES: C.COCC(C1=CC=C(C=C1)OC)(C(=O)O)N
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Product OPENEYE NAME: 2-amino-3-methoxy-2-(4-methoxyphenyl)propanoic acid
CAS Name: 2-amino-3-methoxy-2-(4-methoxyphenyl)propanoic acid
IUPAC NAME: 2-amino-3-methoxy-2-(4-methoxyphenyl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-methoxy-2-(4-methoxyphenyl)propanoic acid
MOLECULAR FORMULA: C11H15NO4
MOLECULAR WEIGHT: 225.2411
SMILES: COCC(C1=CC=C(C=C1)OC)(C(=O)O)N
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Product OPENEYE NAME: 2-amino-N-(4-ethoxy-3-methoxy-phenyl)propanamide
CAS Name: 2-amino-N-(4-ethoxy-3-methoxyphenyl)propanamide
IUPAC NAME: 2-amino-N-(4-ethoxy-3-methoxyphenyl)propanamide
SYSTEMATIC NAME: 2-azanyl-N-(4-ethoxy-3-methoxy-phenyl)propanamide
MOLECULAR FORMULA: C12H18N2O3
MOLECULAR WEIGHT: 238.28292
SMILES: CCOC1=C(C=C(C=C1)NC(=O)C(C)N)OC
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Product OPENEYE NAME: (4-hydroxyphenyl) 2-amino-3-hydroxy-2-methyl-propanoate
CAS Name: 2-amino-3-hydroxy-2-methylpropanoic acid (4-hydroxyphenyl) ester
IUPAC NAME: (4-hydroxyphenyl) 2-amino-3-hydroxy-2-methylpropanoate
SYSTEMATIC NAME: (4-hydroxyphenyl) 2-azanyl-2-methyl-3-oxidanyl-propanoate
MOLECULAR FORMULA: C10H13NO4
MOLECULAR WEIGHT: 211.21452
SMILES: CC(CO)(C(=O)OC1=CC=C(C=C1)O)N
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Product OPENEYE NAME: (4-ethoxy-3-methoxy-phenyl) 2-aminopropanoate
CAS Name: 2-aminopropanoic acid (4-ethoxy-3-methoxyphenyl) ester
IUPAC NAME: (4-ethoxy-3-methoxyphenyl) 2-aminopropanoate
SYSTEMATIC NAME: (4-ethoxy-3-methoxy-phenyl) 2-azanylpropanoate
MOLECULAR FORMULA: C12H17NO4
MOLECULAR WEIGHT: 239.26768
SMILES: CCOC1=C(C=C(C=C1)OC(=O)C(C)N)OC
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Product OPENEYE NAME: (4-ethoxy-3-methoxy-phenyl) 2-aminopropanoate hydrochloride
CAS Name: 2-aminopropanoic acid (4-ethoxy-3-methoxyphenyl) ester hydrochloride
IUPAC NAME: (4-ethoxy-3-methoxyphenyl) 2-aminopropanoate hydrochloride
SYSTEMATIC NAME: (4-ethoxy-3-methoxy-phenyl) 2-azanylpropanoate hydrochloride
MOLECULAR FORMULA: C12H18ClNO4
MOLECULAR WEIGHT: 275.72862
SMILES: CCOC1=C(C=C(C=C1)OC(=O)C(C)N)OC.Cl
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Product OPENEYE NAME: 2-acetamido-3-methoxy-2-(4-methoxyphenyl)propanoic acid; methane
CAS Name: 2-acetamido-3-methoxy-2-(4-methoxyphenyl)propanoic acid; methane
IUPAC NAME: 2-acetamido-3-methoxy-2-(4-methoxyphenyl)propanoic acid; methane
SYSTEMATIC NAME: 2-acetamido-3-methoxy-2-(4-methoxyphenyl)propanoic acid; methane
MOLECULAR FORMULA: C14H21NO5
MOLECULAR WEIGHT: 283.32024
SMILES: C.CC(=O)NC(COC)(C1=CC=C(C=C1)OC)C(=O)O
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Product OPENEYE NAME: 2-acetamido-3-methoxy-2-(4-methoxyphenyl)propanoic acid
CAS Name: 2-acetamido-3-methoxy-2-(4-methoxyphenyl)propanoic acid
IUPAC NAME: 2-acetamido-3-methoxy-2-(4-methoxyphenyl)propanoic acid
SYSTEMATIC NAME: 2-acetamido-3-methoxy-2-(4-methoxyphenyl)propanoic acid
MOLECULAR FORMULA: C13H17NO5
MOLECULAR WEIGHT: 267.27778
SMILES: CC(=O)NC(COC)(C1=CC=C(C=C1)OC)C(=O)O
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