Product OPENEYE NAME: (13-ethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) decanoate
CAS Name: decanoic acid (13-ethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) ester
IUPAC NAME: (13-ethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) decanoate
SYSTEMATIC NAME: (13-ethyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) decanoate
MOLECULAR FORMULA: C29H46O3
MOLECULAR WEIGHT: 442.67374
SMILES: CCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34)CC
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Product OPENEYE NAME: (4-hydroxy-1-methyl-4-phenyl-3-piperidyl)-phenyl-methanone hydrochloride
CAS Name: (4-hydroxy-1-methyl-4-phenyl-3-piperidinyl)-phenylmethanone hydrochloride
IUPAC NAME: (4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone hydrochloride
SYSTEMATIC NAME: (1-methyl-4-oxidanyl-4-phenyl-piperidin-3-yl)-phenyl-methanone hydrochloride
MOLECULAR FORMULA: C19H22ClNO2
MOLECULAR WEIGHT: 331.83648
SMILES: CN1CCC(C(C1)C(=O)C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl
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Product OPENEYE NAME: (4-hydroxy-1-methyl-4-phenyl-3-piperidyl)-phenyl-methanone
CAS Name: (4-hydroxy-1-methyl-4-phenyl-3-piperidinyl)-phenylmethanone
IUPAC NAME: (4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone
SYSTEMATIC NAME: (1-methyl-4-oxidanyl-4-phenyl-piperidin-3-yl)-phenyl-methanone
MOLECULAR FORMULA: C19H21NO2
MOLECULAR WEIGHT: 295.37554
SMILES: CN1CCC(C(C1)C(=O)C2=CC=CC=C2)(C3=CC=CC=C3)O
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Product OPENEYE NAME: (2,5-dimethyl-3-furyl)-(4-hydroxy-3,5-diiodo-phenyl)methanone
CAS Name: (2,5-dimethyl-3-furanyl)-(4-hydroxy-3,5-diiodophenyl)methanone
IUPAC NAME: (2,5-dimethylfuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone
SYSTEMATIC NAME: [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2,5-dimethylfuran-3-yl)methanone
MOLECULAR FORMULA: C13H10I2O3
MOLECULAR WEIGHT: 468.02564
SMILES: CC1=CC(=C(O1)C)C(=O)C2=CC(=C(C(=C2)I)O)I
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Product OPENEYE NAME: 1,1,3-triphenylprop-2-en-1-ol
CAS Name: 1,1,3-triphenyl-2-propen-1-ol
IUPAC NAME: 1,1,3-triphenylprop-2-en-1-ol
SYSTEMATIC NAME: 1,1,3-triphenylprop-2-en-1-ol
MOLECULAR FORMULA: C21H18O
MOLECULAR WEIGHT: 286.36702
SMILES: C1=CC=C(C=C1)C=CC(C2=CC=CC=C2)(C3=CC=CC=C3)O
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Product OPENEYE NAME: 2-hydroxyethyl N-benzylcarbamate
CAS Name: N-(phenylmethyl)carbamic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl N-benzylcarbamate
SYSTEMATIC NAME: 2-hydroxyethyl N-(phenylmethyl)carbamate
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: C1=CC=C(C=C1)CNC(=O)OCCO
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Product OPENEYE NAME: 2-hydroxyethyl N-(2-phenylethyl)carbamate
CAS Name: N-(2-phenylethyl)carbamic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl N-(2-phenylethyl)carbamate
SYSTEMATIC NAME: 2-hydroxyethyl N-(2-phenylethyl)carbamate
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: C1=CC=C(C=C1)CCNC(=O)OCCO
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Product OPENEYE NAME: 2-hydroxyethyl N-(2-phenylpropyl)carbamate
CAS Name: N-(2-phenylpropyl)carbamic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl N-(2-phenylpropyl)carbamate
SYSTEMATIC NAME: 2-hydroxyethyl N-(2-phenylpropyl)carbamate
MOLECULAR FORMULA: C12H17NO3
MOLECULAR WEIGHT: 223.26828
SMILES: CC(CNC(=O)OCCO)C1=CC=CC=C1
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Product OPENEYE NAME: 2-(1,3-benzothiazol-2-ylsulfanyl)ethanol
CAS Name: 2-(1,3-benzothiazol-2-ylthio)ethanol
IUPAC NAME: 2-(1,3-benzothiazol-2-ylsulfanyl)ethanol
SYSTEMATIC NAME: 2-(1,3-benzothiazol-2-ylsulfanyl)ethanol
MOLECULAR FORMULA: C9H9NOS2
MOLECULAR WEIGHT: 211.30386
SMILES: C1=CC=C2C(=C1)N=C(S2)SCCO
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Product OPENEYE NAME: 2-hydrazinoacetamide hydrochloride
CAS Name: 2-hydrazinylacetamide hydrochloride
IUPAC NAME: 2-hydrazinylacetamide hydrochloride
SYSTEMATIC NAME: 2-diazanylethanamide hydrochloride
MOLECULAR FORMULA: C2H8ClN3O
MOLECULAR WEIGHT: 125.55742
SMILES: C(C(=O)N)NN.Cl
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Product OPENEYE NAME: 2-hydrazinoacetamide
CAS Name: 2-hydrazinylacetamide
IUPAC NAME: 2-hydrazinylacetamide
SYSTEMATIC NAME: 2-diazanylethanamide
MOLECULAR FORMULA: C2H7N3O
MOLECULAR WEIGHT: 89.09648
SMILES: C(C(=O)N)NN
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Product OPENEYE NAME: 4-(1-piperidyl)butanamide
CAS Name: 4-(1-piperidinyl)butanamide
IUPAC NAME: 4-piperidin-1-ylbutanamide
SYSTEMATIC NAME: 4-piperidin-1-ylbutanamide
MOLECULAR FORMULA: C9H18N2O
MOLECULAR WEIGHT: 170.25202
SMILES: C1CCN(CC1)CCCC(=O)N
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Product OPENEYE NAME: 4-(1-piperidyl)butanoic acid
CAS Name: 4-(1-piperidinyl)butanoic acid
IUPAC NAME: 4-piperidin-1-ylbutanoic acid
SYSTEMATIC NAME: 4-piperidin-1-ylbutanoic acid
MOLECULAR FORMULA: C9H17NO2
MOLECULAR WEIGHT: 171.23678
SMILES: C1CCN(CC1)CCCC(=O)O
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Product OPENEYE NAME: 2-methylsulfonyloxyethyl methanesulfonate
CAS Name: methanesulfonic acid 2-methylsulfonyloxyethyl ester
IUPAC NAME: 2-methylsulfonyloxyethyl methanesulfonate
SYSTEMATIC NAME: 2-methylsulfonyloxyethyl methanesulfonate
MOLECULAR FORMULA: C4H10O6S2
MOLECULAR WEIGHT: 218.2486
SMILES: CS(=O)(=O)OCCOS(=O)(=O)C
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Product OPENEYE NAME: 6-isopropenyl-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CAS Name: 4,4a-dimethyl-6-(1-methylethenyl)-3,4,5,6,7,8-hexahydronaphthalen-2-one
IUPAC NAME: 4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
SYSTEMATIC NAME: 4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
MOLECULAR FORMULA: C15H22O
MOLECULAR WEIGHT: 218.33458
SMILES: CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C
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Product OPENEYE NAME: 2-(1-methyl-4-piperidyl)-5-(4-pyridyl)pyrazol-3-amine
CAS Name: 2-(1-methyl-4-piperidinyl)-5-pyridin-4-yl-3-pyrazolamine
IUPAC NAME: 2-(1-methylpiperidin-4-yl)-5-pyridin-4-ylpyrazol-3-amine
SYSTEMATIC NAME: 2-(1-methylpiperidin-4-yl)-5-pyridin-4-yl-pyrazol-3-amine
MOLECULAR FORMULA: C14H19N5
MOLECULAR WEIGHT: 257.33416
SMILES: CN1CCC(CC1)N2C(=CC(=N2)C3=CC=NC=C3)N
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Product OPENEYE NAME: 2-methylbut-2-en-1-ol
CAS Name: 2-methyl-2-buten-1-ol
IUPAC NAME: 2-methylbut-2-en-1-ol
SYSTEMATIC NAME: 2-methylbut-2-en-1-ol
MOLECULAR FORMULA: C5H10O
MOLECULAR WEIGHT: 86.1323
SMILES: CC=C(C)CO
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Product OPENEYE NAME: [2-(2-chloro-6-methyl-anilino)-2-oxo-ethyl]-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-dimethyl-ammonium bromide
CAS Name: [2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylammonium bromide
IUPAC NAME: [2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium bromide
SYSTEMATIC NAME: [2-[(2-chloranyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-dimethyl-azanium bromide
MOLECULAR FORMULA: C21H27BrClN3O2
MOLECULAR WEIGHT: 468.81498
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CC(=O)NC2=C(C=CC=C2Cl)C.[Br-]
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Product OPENEYE NAME: [2-(2-chloro-6-methyl-anilino)-2-oxo-ethyl]-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-dimethyl-ammonium
CAS Name: [2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylammonium
IUPAC NAME: [2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium
SYSTEMATIC NAME: [2-[(2-chloranyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-dimethyl-azanium
MOLECULAR FORMULA: C21H27ClN3O2+
MOLECULAR WEIGHT: 388.91098
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CC(=O)NC2=C(C=CC=C2Cl)C
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Product OPENEYE NAME: sodium 3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]cyclohexa-2,5-dien-1-ylidene]-phenyl-methyl]anilino]methyl]benzenesulfonate
CAS Name: sodium 3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]-1-cyclohexa-2,5-dienylidene]-phenylmethyl]anilino]methyl]benzenesulfonate
IUPAC NAME: sodium 3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]methyl]benzenesulfonate
SYSTEMATIC NAME: sodium 3-[[ethyl-[4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-phenyl-methyl]phenyl]amino]methyl]benzenesulfonate
MOLECULAR FORMULA: C37H35N2NaO6S2
MOLECULAR WEIGHT: 690.80337
SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5.[Na+]
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Product OPENEYE NAME: ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-ylidene]-[(3-sulfophenyl)methyl]ammonium
CAS Name: ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-[(3-sulfophenyl)methyl]ammonium
IUPAC NAME: ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-[(3-sulfophenyl)methyl]azanium
SYSTEMATIC NAME: ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-phenyl-methylidene]cyclohexa-2,5-dien-1-ylidene]-[(3-sulfophenyl)methyl]azanium
MOLECULAR FORMULA: C37H37N2O6S2+
MOLECULAR WEIGHT: 669.82948
SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5
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Product OPENEYE NAME: 2-fluoroethyl 2-diethoxyphosphinothioylsulfanyl-2-phenyl-acetate
CAS Name: 2-(diethoxyphosphinothioylthio)-2-phenylacetic acid 2-fluoroethyl ester
IUPAC NAME: 2-fluoroethyl 2-diethoxyphosphinothioylsulfanyl-2-phenylacetate
SYSTEMATIC NAME: 2-fluoranylethyl 2-diethoxyphosphinothioylsulfanyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C14H20FO4PS2
MOLECULAR WEIGHT: 366.408364
SMILES: CCOP(=S)(OCC)SC(C1=CC=CC=C1)C(=O)OCCF
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IUPAC NAME:
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MOLECULAR FORMULA: C17H24O4
MOLECULAR WEIGHT: 292.37006
SMILES: CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)OC(=O)C)C)C
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