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MOLECULAR FORMULA: C24H26N2
MOLECULAR WEIGHT: 342.47664
SMILES: C1CC2=CC=C(C=C2)C(C(C3=CC=C(CCC4=CC=C1C=C4)C=C3)N)N
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Product OPENEYE NAME: ethyl (Z)-3-(2,5-dimethoxyphenyl)but-2-enoate
CAS Name: (Z)-3-(2,5-dimethoxyphenyl)-2-butenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-3-(2,5-dimethoxyphenyl)but-2-enoate
SYSTEMATIC NAME: ethyl (Z)-3-(2,5-dimethoxyphenyl)but-2-enoate
MOLECULAR FORMULA: C14H18O4
MOLECULAR WEIGHT: 250.29032
SMILES: CCOC(=O)/C=C(/C)\C1=C(C=CC(=C1)OC)OC
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Product OPENEYE NAME: ethyl (Z)-3-(2-methoxyphenyl)but-2-enoate
CAS Name: (Z)-3-(2-methoxyphenyl)-2-butenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-3-(2-methoxyphenyl)but-2-enoate
SYSTEMATIC NAME: ethyl (Z)-3-(2-methoxyphenyl)but-2-enoate
MOLECULAR FORMULA: C13H16O3
MOLECULAR WEIGHT: 220.26434
SMILES: CCOC(=O)/C=C(/C)\C1=CC=CC=C1OC
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Product OPENEYE NAME: (Z)-3-(2,5-dimethoxyphenyl)but-2-enoic acid
CAS Name: (Z)-3-(2,5-dimethoxyphenyl)-2-butenoic acid
IUPAC NAME: (Z)-3-(2,5-dimethoxyphenyl)but-2-enoic acid
SYSTEMATIC NAME: (Z)-3-(2,5-dimethoxyphenyl)but-2-enoic acid
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: C/C(=C/C(=O)O)/C1=C(C=CC(=C1)OC)OC
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Product OPENEYE NAME: (Z)-3-(2-methoxyphenyl)but-2-enoic acid
CAS Name: (Z)-3-(2-methoxyphenyl)-2-butenoic acid
IUPAC NAME: (Z)-3-(2-methoxyphenyl)but-2-enoic acid
SYSTEMATIC NAME: (Z)-3-(2-methoxyphenyl)but-2-enoic acid
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: C/C(=C/C(=O)O)/C1=CC=CC=C1OC
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Product OPENEYE NAME: (E)-3-(2,5-dimethoxyphenyl)but-2-enoyl azide
CAS Name: (E)-1-azido-3-(2,5-dimethoxyphenyl)-2-buten-1-one
IUPAC NAME: (E)-3-(2,5-dimethoxyphenyl)but-2-enoyl azide
SYSTEMATIC NAME: (E)-1-azido-3-(2,5-dimethoxyphenyl)but-2-en-1-one
MOLECULAR FORMULA: C12H13N3O3
MOLECULAR WEIGHT: 247.24992
SMILES: C/C(=C\C(=O)N=[N+]=[N-])/C1=C(C=CC(=C1)OC)OC
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Product OPENEYE NAME: (E)-3-(2-methoxyphenyl)but-2-enoyl azide
CAS Name: (E)-1-azido-3-(2-methoxyphenyl)-2-buten-1-one
IUPAC NAME: (E)-3-(2-methoxyphenyl)but-2-enoyl azide
SYSTEMATIC NAME: (E)-1-azido-3-(2-methoxyphenyl)but-2-en-1-one
MOLECULAR FORMULA: C11H11N3O2
MOLECULAR WEIGHT: 217.22394
SMILES: C/C(=C\C(=O)N=[N+]=[N-])/C1=CC=CC=C1OC
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Product OPENEYE NAME: 6-hydroxy-1-[2-(2-hydroxyethylamino)ethylamino]-4-methyl-naphtho[2,3-g]isoquinoline-5,12-dione
CAS Name: 6-hydroxy-1-[2-(2-hydroxyethylamino)ethylamino]-4-methylnaphtho[2,3-g]isoquinoline-5,12-dione
IUPAC NAME: 6-hydroxy-1-[2-(2-hydroxyethylamino)ethylamino]-4-methylnaphtho[2,3-g]isoquinoline-5,12-dione
SYSTEMATIC NAME: 1-[2-(2-hydroxyethylamino)ethylamino]-4-methyl-6-oxidanyl-naphtho[2,3-g]isoquinoline-5,12-dione
MOLECULAR FORMULA: C22H21N3O4
MOLECULAR WEIGHT: 391.41984
SMILES: CC1=CN=C(C2=C1C(=O)C3=C(C4=CC=CC=C4C=C3C2=O)O)NCCNCCO
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Product OPENEYE NAME: ethyl 3-hydroxy-3-(2-methoxyphenyl)butanoate
CAS Name: 3-hydroxy-3-(2-methoxyphenyl)butanoic acid ethyl ester
IUPAC NAME: ethyl 3-hydroxy-3-(2-methoxyphenyl)butanoate
SYSTEMATIC NAME: ethyl 3-(2-methoxyphenyl)-3-oxidanyl-butanoate
MOLECULAR FORMULA: C13H18O4
MOLECULAR WEIGHT: 238.27962
SMILES: CCOC(=O)CC(C)(C1=CC=CC=C1OC)O
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MOLECULAR FORMULA: C18H23NO2
MOLECULAR WEIGHT: 285.38072
SMILES: CN1CC[C@@]23CCCC[C@@H]2[C@@H]1C(=O)C4=C3C=C(C=C4)OC
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MOLECULAR FORMULA: C17H21NO2
MOLECULAR WEIGHT: 271.35414
SMILES: CN1CC[C@@]23CCCC[C@@H]2[C@@H]1C(=O)C4=C3C=C(C=C4)O
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MOLECULAR FORMULA: C17H23NO2
MOLECULAR WEIGHT: 273.37002
SMILES: CN1CC[C@@]23CCCC[C@@H]2[C@@H]1[C@H](C4=C3C=C(C=C4)O)O
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MOLECULAR FORMULA: C17H23NO2
MOLECULAR WEIGHT: 273.37002
SMILES: CN1CC[C@@]23CCCC[C@@H]2[C@@H]1[C@@H](C4=C3C=C(C=C4)O)O
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MOLECULAR FORMULA: C18H25NO2
MOLECULAR WEIGHT: 287.3966
SMILES: CN1CC[C@@]23CCCC[C@@H]2[C@@H]1[C@H](C4=C3C=C(C=C4)OC)O
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MOLECULAR FORMULA: C21H18N4O2
MOLECULAR WEIGHT: 358.39322
SMILES: C1[C@H]2C(=O)N(C(=O)N2CC3=C1N=CN3CC4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: methyl (6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CAS Name: (6S)-1-(diphenylmethyl)-5-(1-oxo-2,2-diphenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester
IUPAC NAME: methyl (6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
SYSTEMATIC NAME: methyl (6S)-5-(2,2-diphenylethanoyl)-1-(diphenylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
MOLECULAR FORMULA: C35H31N3O3
MOLECULAR WEIGHT: 541.63894
SMILES: COC(=O)[C@@H]1CC2=C(CN1C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2C(C5=CC=CC=C5)C6=CC=CC=C6
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Product OPENEYE NAME: methyl (6S)-1-[2-(1-adamantyl)ethyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CAS Name: (6S)-1-[2-(1-adamantyl)ethyl]-5-(1-oxo-2,2-diphenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester
IUPAC NAME: methyl (6S)-1-[2-(1-adamantyl)ethyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
SYSTEMATIC NAME: methyl (6S)-1-[2-(1-adamantyl)ethyl]-5-(2,2-diphenylethanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
MOLECULAR FORMULA: C34H39N3O3
MOLECULAR WEIGHT: 537.69176
SMILES: COC(=O)[C@@H]1CC2=C(CN1C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2CCC56CC7CC(C5)CC(C7)C6
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Product OPENEYE NAME: methyl (6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-3-phenacyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-ium-6-carboxylate
CAS Name: (6S)-1-(diphenylmethyl)-5-(1-oxo-2,2-diphenylethyl)-3-phenacyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-ium-6-carboxylic acid methyl ester
IUPAC NAME: methyl (6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-3-phenacyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-ium-6-carboxylate
SYSTEMATIC NAME: methyl (6S)-5-(2,2-diphenylethanoyl)-1-(diphenylmethyl)-3-phenacyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-ium-6-carboxylate
MOLECULAR FORMULA: C43H38N3O4+
MOLECULAR WEIGHT: 660.77952
SMILES: COC(=O)[C@@H]1CC2=C(CN1C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)N(C=[N+]2C(C5=CC=CC=C5)C6=CC=CC=C6)CC(=O)C7=CC=CC=C7
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Product OPENEYE NAME: methyl (6S)-1-[2-(1-adamantyl)ethyl]-5-(2,2-diphenylacetyl)-3-phenacyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-ium-6-carboxylate
CAS Name: (6S)-1-[2-(1-adamantyl)ethyl]-5-(1-oxo-2,2-diphenylethyl)-3-phenacyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-ium-6-carboxylic acid methyl ester
IUPAC NAME: methyl (6S)-1-[2-(1-adamantyl)ethyl]-5-(2,2-diphenylacetyl)-3-phenacyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-ium-6-carboxylate
SYSTEMATIC NAME: methyl (6S)-1-[2-(1-adamantyl)ethyl]-5-(2,2-diphenylethanoyl)-3-phenacyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-ium-6-carboxylate
MOLECULAR FORMULA: C42H46N3O4+
MOLECULAR WEIGHT: 656.83234
SMILES: COC(=O)[C@@H]1CC2=C(CN1C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)N(C=[N+]2CCC56CC7CC(C5)CC(C7)C6)CC(=O)C8=CC=CC=C8
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Product OPENEYE NAME: 1,3-bis(4-methoxyphenyl)-2,2-dimethyl-but-3-en-1-one
CAS Name: 1,3-bis(4-methoxyphenyl)-2,2-dimethyl-3-buten-1-one
IUPAC NAME: 1,3-bis(4-methoxyphenyl)-2,2-dimethylbut-3-en-1-one
SYSTEMATIC NAME: 1,3-bis(4-methoxyphenyl)-2,2-dimethyl-but-3-en-1-one
MOLECULAR FORMULA: C20H22O3
MOLECULAR WEIGHT: 310.38688
SMILES: CC(C)(C(=C)C1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)OC
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Product OPENEYE NAME: 2,2,3-trimethyl-3-phenyl-indan-1-one
CAS Name: 2,2,3-trimethyl-3-phenyl-1-indenone
IUPAC NAME: 2,2,3-trimethyl-3-phenylinden-1-one
SYSTEMATIC NAME: 2,2,3-trimethyl-3-phenyl-inden-1-one
MOLECULAR FORMULA: C18H18O
MOLECULAR WEIGHT: 250.33492
SMILES: CC1(C(=O)C2=CC=CC=C2C1(C)C3=CC=CC=C3)C
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Product OPENEYE NAME: (3R,5R)-3-hydroperoxy-3,5-bis(4-methoxyphenyl)-4,4,5-trimethyl-pyrazole
CAS Name: (3R,5R)-3-hydroperoxy-3,5-bis(4-methoxyphenyl)-4,4,5-trimethylpyrazole
IUPAC NAME: (3R,5R)-3-hydroperoxy-3,5-bis(4-methoxyphenyl)-4,4,5-trimethylpyrazole
SYSTEMATIC NAME: (3R,5R)-3-(dioxidanyl)-3,5-bis(4-methoxyphenyl)-4,4,5-trimethyl-pyrazole
MOLECULAR FORMULA: C20H24N2O4
MOLECULAR WEIGHT: 356.41556
SMILES: C[C@]1(C([C@@](N=N1)(C2=CC=C(C=C2)OC)OO)(C)C)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: (3R,5R)-4,4,5-trimethyl-3,5-diphenyl-pyrazol-3-ol
CAS Name: (3R,5R)-4,4,5-trimethyl-3,5-diphenyl-3-pyrazolol
IUPAC NAME: (3R,5R)-4,4,5-trimethyl-3,5-diphenylpyrazol-3-ol
SYSTEMATIC NAME: (3R,5R)-4,4,5-trimethyl-3,5-diphenyl-pyrazol-3-ol
MOLECULAR FORMULA: C18H20N2O
MOLECULAR WEIGHT: 280.3642
SMILES: C[C@]1(C([C@@](N=N1)(C2=CC=CC=C2)O)(C)C)C3=CC=CC=C3
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Product OPENEYE NAME: (3R,5R)-3,5-bis(4-methoxyphenyl)-4,4,5-trimethyl-pyrazol-3-ol
CAS Name: (3R,5R)-3,5-bis(4-methoxyphenyl)-4,4,5-trimethyl-3-pyrazolol
IUPAC NAME: (3R,5R)-3,5-bis(4-methoxyphenyl)-4,4,5-trimethylpyrazol-3-ol
SYSTEMATIC NAME: (3R,5R)-3,5-bis(4-methoxyphenyl)-4,4,5-trimethyl-pyrazol-3-ol
MOLECULAR FORMULA: C20H24N2O3
MOLECULAR WEIGHT: 340.41616
SMILES: C[C@]1(C([C@@](N=N1)(C2=CC=C(C=C2)OC)O)(C)C)C3=CC=C(C=C3)OC
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