Product OPENEYE NAME: 3-methyl-2-phenyl-butanoic acid
CAS Name: 3-methyl-2-phenylbutanoic acid
IUPAC NAME: 3-methyl-2-phenylbutanoic acid
SYSTEMATIC NAME: 3-methyl-2-phenyl-butanoic acid
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC(C)C(C1=CC=CC=C1)C(=O)O
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Product OPENEYE NAME: 2,3-dichlorotetrahydrofuran
CAS Name: 2,3-dichlorooxolane
IUPAC NAME: 2,3-dichlorooxolane
SYSTEMATIC NAME: 2,3-bis(chloranyl)oxolane
MOLECULAR FORMULA: C4H6Cl2O
MOLECULAR WEIGHT: 140.99584
SMILES: C1COC(C1Cl)Cl
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Product OPENEYE NAME: 3-(4-piperidylmethyl)-1H-indole
CAS Name: 3-(4-piperidinylmethyl)-1H-indole
IUPAC NAME: 3-(piperidin-4-ylmethyl)-1H-indole
SYSTEMATIC NAME: 3-(piperidin-4-ylmethyl)-1H-indole
MOLECULAR FORMULA: C14H18N2
MOLECULAR WEIGHT: 214.30612
SMILES: C1CNCCC1CC2=CNC3=CC=CC=C32
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Product OPENEYE NAME: 5-methoxy-3-(4-piperidylmethyl)-1H-indole
CAS Name: 5-methoxy-3-(4-piperidinylmethyl)-1H-indole
IUPAC NAME: 5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
SYSTEMATIC NAME: 5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
MOLECULAR FORMULA: C15H20N2O
MOLECULAR WEIGHT: 244.3321
SMILES: COC1=CC2=C(C=C1)NC=C2CC3CCNCC3
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Product OPENEYE NAME: 3-[[1-(2-phenylethyl)-4-piperidyl]methyl]-1H-indole
CAS Name: 3-[[1-(2-phenylethyl)-4-piperidinyl]methyl]-1H-indole
IUPAC NAME: 3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indole
SYSTEMATIC NAME: 3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indole
MOLECULAR FORMULA: C22H26N2
MOLECULAR WEIGHT: 318.45524
SMILES: C1CN(CCC1CC2=CNC3=CC=CC=C32)CCC4=CC=CC=C4
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Product OPENEYE NAME: 5-methoxy-3-[[1-(2-phenylethyl)-4-piperidyl]methyl]-1H-indole
CAS Name: 5-methoxy-3-[[1-(2-phenylethyl)-4-piperidinyl]methyl]-1H-indole
IUPAC NAME: 5-methoxy-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indole
SYSTEMATIC NAME: 5-methoxy-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indole
MOLECULAR FORMULA: C23H28N2O
MOLECULAR WEIGHT: 348.48122
SMILES: COC1=CC2=C(C=C1)NC=C2CC3CCN(CC3)CCC4=CC=CC=C4
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Product OPENEYE NAME: 3-[(1-benzylpiperidin-1-ium-4-yl)methyl]-5-methoxy-1H-indole chloride
CAS Name: 5-methoxy-3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]-1H-indole chloride
IUPAC NAME: 3-[(1-benzylpiperidin-1-ium-4-yl)methyl]-5-methoxy-1H-indole chloride
SYSTEMATIC NAME: 5-methoxy-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]-1H-indole chloride
MOLECULAR FORMULA: C22H27ClN2O
MOLECULAR WEIGHT: 370.91558
SMILES: COC1=CC2=C(C=C1)NC=C2CC3CC[NH+](CC3)CC4=CC=CC=C4.[Cl-]
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Product OPENEYE NAME: 3-[(1-benzyl-4-piperidyl)methyl]-5-methoxy-1H-indole
CAS Name: 5-methoxy-3-[[1-(phenylmethyl)-4-piperidinyl]methyl]-1H-indole
IUPAC NAME: 3-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1H-indole
SYSTEMATIC NAME: 5-methoxy-3-[[1-(phenylmethyl)piperidin-4-yl]methyl]-1H-indole
MOLECULAR FORMULA: C22H26N2O
MOLECULAR WEIGHT: 334.45464
SMILES: COC1=CC2=C(C=C1)NC=C2CC3CCN(CC3)CC4=CC=CC=C4
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Product OPENEYE NAME: 1-methyl-3-[[1-(2-phenylethyl)-4-piperidyl]methyl]indole
CAS Name: 1-methyl-3-[[1-(2-phenylethyl)-4-piperidinyl]methyl]indole
IUPAC NAME: 1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indole
SYSTEMATIC NAME: 1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indole
MOLECULAR FORMULA: C23H28N2
MOLECULAR WEIGHT: 332.48182
SMILES: CN1C=C(C2=CC=CC=C21)CC3CCN(CC3)CCC4=CC=CC=C4
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Product OPENEYE NAME: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,1-diphenyl-propan-1-ol
CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,1-diphenyl-1-propanol
IUPAC NAME: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,1-diphenylpropan-1-ol
SYSTEMATIC NAME: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,1-diphenyl-propan-1-ol
MOLECULAR FORMULA: C24H25NO
MOLECULAR WEIGHT: 343.4614
SMILES: C1CN(CC2=CC=CC=C21)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)O
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Product OPENEYE NAME: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-1,1-diphenyl-propan-1-ol
CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-1,1-diphenyl-1-propanol
IUPAC NAME: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-1,1-diphenylpropan-1-ol
SYSTEMATIC NAME: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-1,1-diphenyl-propan-1-ol
MOLECULAR FORMULA: C25H27NO
MOLECULAR WEIGHT: 357.48798
SMILES: CC(CN1CCC2=CC=CC=C2C1)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
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Product OPENEYE NAME: 2-methylbenzo[c]acridine
CAS Name: 2-methylbenzo[c]acridine
IUPAC NAME: 2-methylbenzo[c]acridine
SYSTEMATIC NAME: 2-methylbenzo[c]acridine
MOLECULAR FORMULA: C18H13N
MOLECULAR WEIGHT: 243.30252
SMILES: CC1=CC2=C(C=C1)C=CC3=CC4=CC=CC=C4N=C32
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Product OPENEYE NAME: [4-(dimethylamino)-2-[[(3R,4S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyl-tetrahydropyran-3-yl] propanoate; dode
CAS Name: propanoic acid [4-(dimethylamino)-2-[[(3R,4S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyl-3-oxanyl] ester; sulfuric acid do
IUPAC NAME: [4-(dimethylamino)-2-[[(3R,4S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] propanoate; dodecyl hydrogen sulfate
SYSTEMATIC NAME: [4-(dimethylamino)-2-[[(3R,4S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-4-(4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-6-yl]oxy]-6-methyl-oxan-3-yl] propanoate; dodecy
MOLECULAR FORMULA: C52H97NO18S
MOLECULAR WEIGHT: 1056.38748
SMILES: CCCCCCCCCCCCOS(=O)(=O)O.CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H](C([C@@H]([C@H](C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CC)(C)O)C)C)O)(C)O
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Product OPENEYE NAME: [4-(dimethylamino)-2-[[(3R,4S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyl-tetrahydropyran-3-yl] propanoate
CAS Name: propanoic acid [4-(dimethylamino)-2-[[(3R,4S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyl-3-oxanyl] ester
IUPAC NAME: [4-(dimethylamino)-2-[[(3R,4S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] propanoate
SYSTEMATIC NAME: [4-(dimethylamino)-2-[[(3R,4S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-4-(4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-6-yl]oxy]-6-methyl-oxan-3-yl] propanoate
MOLECULAR FORMULA: C40H71NO14
MOLECULAR WEIGHT: 789.99004
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H](C([C@@H]([C@H](C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CC)(C)O)C)C)O)(C)O
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Product OPENEYE NAME: 3-[[6-(3-carboxy-2,4,6-triiodo-anilino)-6-oxo-hexanoyl]amino]-2,4,6-triiodo-benzoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol
CAS Name: 3-[[6-(3-carboxy-2,4,6-triiodoanilino)-1,6-dioxohexyl]amino]-2,4,6-triiodobenzoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol
IUPAC NAME: 3-[[6-(3-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol
SYSTEMATIC NAME: 3-[[6-[[3-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-6-oxidanylidene-hexanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C34H48I6N4O16
MOLECULAR WEIGHT: 1530.18894
SMILES: CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O.C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I
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Product OPENEYE NAME: hept-1-en-4-ol
CAS Name: 1-hepten-4-ol
IUPAC NAME: hept-1-en-4-ol
SYSTEMATIC NAME: hept-1-en-4-ol
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CCCC(CC=C)O
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Product OPENEYE NAME: 2,2,5-trimethylhexane
CAS Name: 2,2,5-trimethylhexane
IUPAC NAME: 2,2,5-trimethylhexane
SYSTEMATIC NAME: 2,2,5-trimethylhexane
MOLECULAR FORMULA: C9H20
MOLECULAR WEIGHT: 128.2551
SMILES: CC(C)CCC(C)(C)C
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Product OPENEYE NAME: [2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CAS Name: 2-propenoic acid [2-(hydroxymethyl)-3-(1-oxoprop-2-enoxy)-2-(1-oxoprop-2-enoxymethyl)propyl] ester
IUPAC NAME: [2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
SYSTEMATIC NAME: [2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
MOLECULAR FORMULA: C14H18O7
MOLECULAR WEIGHT: 298.28852
SMILES: C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C
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Product OPENEYE NAME: 6-methyl-1H-pyrimidin-4-one
CAS Name: 6-methyl-1H-pyrimidin-4-one
IUPAC NAME: 6-methyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-methyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C5H6N2O
MOLECULAR WEIGHT: 110.11394
SMILES: CC1=CC(=O)N=CN1
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Product OPENEYE NAME: carbamimidoyl-(7-methyl-2,3-dihydrobenzofuran-3-yl)ammonium nitrate
CAS Name: carbamimidoyl-(7-methyl-2,3-dihydrobenzofuran-3-yl)ammonium nitrate
IUPAC NAME: carbamimidoyl-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)azanium nitrate
SYSTEMATIC NAME: carbamimidoyl-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)azanium nitrate
MOLECULAR FORMULA: C10H14N4O4
MOLECULAR WEIGHT: 254.24256
SMILES: CC1=CC=CC2=C1OCC2[NH2+]C(=N)N.[N+](=O)([O-])[O-]
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Product OPENEYE NAME: 2-(7-methyl-2,3-dihydrobenzofuran-3-yl)guanidine
CAS Name: 2-(7-methyl-2,3-dihydrobenzofuran-3-yl)guanidine
IUPAC NAME: 2-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)guanidine
SYSTEMATIC NAME: 2-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)guanidine
MOLECULAR FORMULA: C10H13N3O
MOLECULAR WEIGHT: 191.22972
SMILES: CC1=CC=CC2=C1OCC2N=C(N)N
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Product OPENEYE NAME: N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine trihydrochloride
CAS Name: N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)-1-propanamine trihydrochloride
IUPAC NAME: N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine trihydrochloride
SYSTEMATIC NAME: N,N-dimethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine trihydrochloride
MOLECULAR FORMULA: C13H30Cl3N3
MOLECULAR WEIGHT: 334.7564
SMILES: CN1C2CCCC1CN(C2)CCCN(C)C.Cl.Cl.Cl
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