Product OPENEYE NAME: 3-(N-(3-amino-2,4,6-triiodo-benzoyl)anilino)propanoic acid
CAS Name: 3-(N-[(3-amino-2,4,6-triiodophenyl)-oxomethyl]anilino)propanoic acid
IUPAC NAME: 3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoic acid
SYSTEMATIC NAME: 3-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonyl-phenyl-amino]propanoic acid
MOLECULAR FORMULA: C16H13I3N2O3
MOLECULAR WEIGHT: 661.99943
SMILES: C1=CC=C(C=C1)N(CCC(=O)O)C(=O)C2=C(C(=C(C=C2I)I)N)I
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Product OPENEYE NAME: 2-butylhexanoic acid
CAS Name: 2-butylhexanoic acid
IUPAC NAME: 2-butylhexanoic acid
SYSTEMATIC NAME: 2-butylhexanoic acid
MOLECULAR FORMULA: C10H20O2
MOLECULAR WEIGHT: 172.2646
SMILES: CCCCC(CCCC)C(=O)O
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Product OPENEYE NAME: 2-(4-nonylphenoxy)acetic acid
CAS Name: 2-(4-nonylphenoxy)acetic acid
IUPAC NAME: 2-(4-nonylphenoxy)acetic acid
SYSTEMATIC NAME: 2-(4-nonylphenoxy)ethanoic acid
MOLECULAR FORMULA: C17H26O3
MOLECULAR WEIGHT: 278.38654
SMILES: CCCCCCCCCC1=CC=C(C=C1)OCC(=O)O
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Product OPENEYE NAME: (2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: (2S,5R,6R)-6-[[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: (2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-6-[[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C19H17Cl2N3O5S
MOLECULAR WEIGHT: 470.32638
SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O
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Product OPENEYE NAME: N-(2-chloro-5-ethyl-phenyl)-2-(diethylamino)acetamide
CAS Name: N-(2-chloro-5-ethylphenyl)-2-(diethylamino)acetamide
IUPAC NAME: N-(2-chloro-5-ethylphenyl)-2-(diethylamino)acetamide
SYSTEMATIC NAME: N-(2-chloranyl-5-ethyl-phenyl)-2-(diethylamino)ethanamide
MOLECULAR FORMULA: C14H21ClN2O
MOLECULAR WEIGHT: 268.78234
SMILES: CCC1=CC(=C(C=C1)Cl)NC(=O)CN(CC)CC
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Product OPENEYE NAME: 2-(diethylamino)-N-(5-ethyl-2-methoxy-phenyl)acetamide
CAS Name: 2-(diethylamino)-N-(5-ethyl-2-methoxyphenyl)acetamide
IUPAC NAME: 2-(diethylamino)-N-(5-ethyl-2-methoxyphenyl)acetamide
SYSTEMATIC NAME: 2-(diethylamino)-N-(5-ethyl-2-methoxy-phenyl)ethanamide
MOLECULAR FORMULA: C15H24N2O2
MOLECULAR WEIGHT: 264.36326
SMILES: CCC1=CC(=C(C=C1)OC)NC(=O)CN(CC)CC
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Product OPENEYE NAME: 2-phenoxy-2-phenyl-acetic acid
CAS Name: 2-phenoxy-2-phenylacetic acid
IUPAC NAME: 2-phenoxy-2-phenylacetic acid
SYSTEMATIC NAME: 2-phenoxy-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C14H12O3
MOLECULAR WEIGHT: 228.24328
SMILES: C1=CC=C(C=C1)C(C(=O)O)OC2=CC=CC=C2
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Product OPENEYE NAME: N-[3-(cyclohexylamino)propyl]-2-hydroxy-2-phenyl-acetamide
CAS Name: N-[3-(cyclohexylamino)propyl]-2-hydroxy-2-phenylacetamide
IUPAC NAME: N-[3-(cyclohexylamino)propyl]-2-hydroxy-2-phenylacetamide
SYSTEMATIC NAME: N-[3-(cyclohexylamino)propyl]-2-oxidanyl-2-phenyl-ethanamide
MOLECULAR FORMULA: C17H26N2O2
MOLECULAR WEIGHT: 290.40054
SMILES: C1CCC(CC1)NCCCNC(=O)C(C2=CC=CC=C2)O
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Product OPENEYE NAME: 3-amino-2,4,6-triiodo-benzoic acid
CAS Name: 3-amino-2,4,6-triiodobenzoic acid
IUPAC NAME: 3-amino-2,4,6-triiodobenzoic acid
SYSTEMATIC NAME: 3-azanyl-2,4,6-tris(iodanyl)benzoic acid
MOLECULAR FORMULA: C7H4I3NO2
MOLECULAR WEIGHT: 514.82557
SMILES: C1=C(C(=C(C(=C1I)N)I)C(=O)O)I
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Product OPENEYE NAME: 2-(3-acetamido-2,4,6-triiodo-phenyl)acetic acid
CAS Name: 2-(3-acetamido-2,4,6-triiodophenyl)acetic acid
IUPAC NAME: 2-(3-acetamido-2,4,6-triiodophenyl)acetic acid
SYSTEMATIC NAME: 2-[3-acetamido-2,4,6-tris(iodanyl)phenyl]ethanoic acid
MOLECULAR FORMULA: C10H8I3NO3
MOLECULAR WEIGHT: 570.88883
SMILES: CC(=O)NC1=C(C=C(C(=C1I)CC(=O)O)I)I
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Product OPENEYE NAME: 2-(3-amino-2,4,6-triiodo-phenyl)acetic acid
CAS Name: 2-(3-amino-2,4,6-triiodophenyl)acetic acid
IUPAC NAME: 2-(3-amino-2,4,6-triiodophenyl)acetic acid
SYSTEMATIC NAME: 2-[3-azanyl-2,4,6-tris(iodanyl)phenyl]ethanoic acid
MOLECULAR FORMULA: C8H6I3NO2
MOLECULAR WEIGHT: 528.85215
SMILES: C1=C(C(=C(C(=C1I)N)I)CC(=O)O)I
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Product OPENEYE NAME: 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenyl-butanamide
CAS Name: 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanamide
IUPAC NAME: 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanamide
SYSTEMATIC NAME: 4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenyl-butanamide
MOLECULAR FORMULA: C16H27N3O
MOLECULAR WEIGHT: 277.40508
SMILES: CN(C)CCC(CCN(C)C)(C1=CC=CC=C1)C(=O)N
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Product OPENEYE NAME: 3-methyl-4-methylsulfanyl-phenol
CAS Name: 3-methyl-4-(methylthio)phenol
IUPAC NAME: 3-methyl-4-methylsulfanylphenol
SYSTEMATIC NAME: 3-methyl-4-methylsulfanyl-phenol
MOLECULAR FORMULA: C8H10OS
MOLECULAR WEIGHT: 154.2294
SMILES: CC1=C(C=CC(=C1)O)SC
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Product OPENEYE NAME: 2-methoxyethyl prop-2-enoate
CAS Name: 2-propenoic acid 2-methoxyethyl ester
IUPAC NAME: 2-methoxyethyl prop-2-enoate
SYSTEMATIC NAME: 2-methoxyethyl prop-2-enoate
MOLECULAR FORMULA: C6H10O3
MOLECULAR WEIGHT: 130.1418
SMILES: COCCOC(=O)C=C
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Product OPENEYE NAME: 4,4-dimethylpentan-1-ol
CAS Name: 4,4-dimethyl-1-pentanol
IUPAC NAME: 4,4-dimethylpentan-1-ol
SYSTEMATIC NAME: 4,4-dimethylpentan-1-ol
MOLECULAR FORMULA: C7H16O
MOLECULAR WEIGHT: 116.20134
SMILES: CC(C)(C)CCCO
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Product OPENEYE NAME: 4-trimethylsilylbutyl carbamate
CAS Name: carbamic acid 4-trimethylsilylbutyl ester
IUPAC NAME: 4-trimethylsilylbutyl carbamate
SYSTEMATIC NAME: 4-trimethylsilylbutyl carbamate
MOLECULAR FORMULA: C8H19NO2Si
MOLECULAR WEIGHT: 189.32746
SMILES: C[Si](C)(C)CCCCOC(=O)N
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Product OPENEYE NAME: 5,5-dimethylhexyl carbamate
CAS Name: carbamic acid 5,5-dimethylhexyl ester
IUPAC NAME: 5,5-dimethylhexyl carbamate
SYSTEMATIC NAME: 5,5-dimethylhexyl carbamate
MOLECULAR FORMULA: C9H19NO2
MOLECULAR WEIGHT: 173.25266
SMILES: CC(C)(C)CCCCOC(=O)N
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