Product OPENEYE NAME: 3-[1-(1H-imidazol-5-yl)ethyl]-2-methyl-benzoic acid
CAS Name: 3-[1-(1H-imidazol-5-yl)ethyl]-2-methylbenzoic acid
IUPAC NAME: 3-[1-(1H-imidazol-5-yl)ethyl]-2-methylbenzoic acid
SYSTEMATIC NAME: 3-[1-(1H-imidazol-5-yl)ethyl]-2-methyl-benzoic acid
MOLECULAR FORMULA: C13H14N2O2
MOLECULAR WEIGHT: 230.26246
SMILES: CC1=C(C=CC=C1C(C)C2=CN=CN2)C(=O)O
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Product OPENEYE NAME: (4Z)-4-(morpholinomethylene)-2,3-dihydro-1-benzoxepin-5-one
CAS Name: (4Z)-4-(4-morpholinylmethylidene)-2,3-dihydro-1-benzoxepin-5-one
IUPAC NAME: (4Z)-4-(morpholin-4-ylmethylidene)-2,3-dihydro-1-benzoxepin-5-one
SYSTEMATIC NAME: (4Z)-4-(morpholin-4-ylmethylidene)-2,3-dihydro-1-benzoxepin-5-one
MOLECULAR FORMULA: C15H17NO3
MOLECULAR WEIGHT: 259.30038
SMILES: C\1COC2=CC=CC=C2C(=O)/C1=C\N3CCOCC3
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Product OPENEYE NAME: (4Z)-4-(hydroxymethylene)-7-methyl-2,3-dihydro-1-benzoxepin-5-one
CAS Name: (4Z)-4-(hydroxymethylidene)-7-methyl-2,3-dihydro-1-benzoxepin-5-one
IUPAC NAME: (4Z)-4-(hydroxymethylidene)-7-methyl-2,3-dihydro-1-benzoxepin-5-one
SYSTEMATIC NAME: (4Z)-7-methyl-4-(oxidanylmethylidene)-2,3-dihydro-1-benzoxepin-5-one
MOLECULAR FORMULA: C12H12O3
MOLECULAR WEIGHT: 204.22188
SMILES: CC1=CC2=C(C=C1)OCC/C(=C/O)/C2=O
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Product OPENEYE NAME: (2-hydroxy-5,5-dimethyl-2-oxo-1,4,2$l^{5}-oxazaphosphinan-4-yl)methylphosphonic acid
CAS Name: (2-hydroxy-5,5-dimethyl-2-oxo-1,4,2$l^{5}-oxazaphosphorinan-4-yl)methylphosphonic acid
IUPAC NAME: (2-hydroxy-5,5-dimethyl-2-oxo-1,4,2$l^{5}-oxazaphosphinan-4-yl)methylphosphonic acid
SYSTEMATIC NAME: (5,5-dimethyl-2-oxidanyl-2-oxidanylidene-1,4,2$l^{5}-oxazaphosphinan-4-yl)methylphosphonic acid
MOLECULAR FORMULA: C6H15NO6P2
MOLECULAR WEIGHT: 259.133922
SMILES: CC1(COP(=O)(CN1CP(=O)(O)O)O)C
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Product OPENEYE NAME: 2-[1-methyl-2-[2-(2-tetrahydropyran-2-yloxypropoxy)phenoxy]ethoxy]tetrahydropyran
CAS Name: 2-[1-[2-[2-(2-oxanyloxy)propoxy]phenoxy]propan-2-yloxy]oxane
IUPAC NAME: 2-[1-[2-[2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yloxy]oxane
SYSTEMATIC NAME: 2-[1-[2-[2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yloxy]oxane
MOLECULAR FORMULA: C22H34O6
MOLECULAR WEIGHT: 394.50176
SMILES: CC(COC1=CC=CC=C1OCC(C)OC2CCCCO2)OC3CCCCO3
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MOLECULAR FORMULA: C22H22N2O6
MOLECULAR WEIGHT: 410.41988
SMILES: CC1COCCOCC(OC(=O)C2=NC3=C(C=CC4=C3N=C(C=C4)C(=O)O1)C=C2)C
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MOLECULAR FORMULA: C26H22N2O6
MOLECULAR WEIGHT: 458.46268
SMILES: CC1COC2=CC=CC=C2OCC(OC(=O)C3=NC4=C(C=CC5=C4N=C(C=C5)C(=O)O1)C=C3)C
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Product OPENEYE NAME: 2-[1-methyl-2-[2-(2-tetrahydropyran-2-yloxypropoxy)ethoxy]ethoxy]tetrahydropyran
CAS Name: 2-[1-[2-[2-(2-oxanyloxy)propoxy]ethoxy]propan-2-yloxy]oxane
IUPAC NAME: 2-[1-[2-[2-(oxan-2-yloxy)propoxy]ethoxy]propan-2-yloxy]oxane
SYSTEMATIC NAME: 2-[1-[2-[2-(oxan-2-yloxy)propoxy]ethoxy]propan-2-yloxy]oxane
MOLECULAR FORMULA: C18H34O6
MOLECULAR WEIGHT: 346.45896
SMILES: CC(COCCOCC(C)OC1CCCCO1)OC2CCCCO2
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Product OPENEYE NAME: 3-[[2-oxo-3-(4-pyridyl)indan-1-yl]-(4-pyridyl)methyl]-1-phenyl-3-(4-pyridylmethyl)indolin-2-one
CAS Name: 3-[(2-oxo-3-pyridin-4-yl-1,3-dihydroinden-1-yl)-pyridin-4-ylmethyl]-1-phenyl-3-(pyridin-4-ylmethyl)-2-indolone
IUPAC NAME: 3-[(2-oxo-3-pyridin-4-yl-1,3-dihydroinden-1-yl)-pyridin-4-ylmethyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one
SYSTEMATIC NAME: 3-[(2-oxidanylidene-3-pyridin-4-yl-1,3-dihydroinden-1-yl)-pyridin-4-yl-methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one
MOLECULAR FORMULA: C40H30N4O2
MOLECULAR WEIGHT: 598.6918
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC4=CC=NC=C4)C(C5C6=CC=CC=C6C(C5=O)C7=CC=NC=C7)C8=CC=NC=C8
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Product OPENEYE NAME: 1-methyl-2,3-diphenyl-hexahydropyrimidine
CAS Name: 1-methyl-2,3-diphenyl-1,3-diazinane
IUPAC NAME: 1-methyl-2,3-diphenyl-1,3-diazinane
SYSTEMATIC NAME: 1-methyl-2,3-diphenyl-1,3-diazinane
MOLECULAR FORMULA: C17H20N2
MOLECULAR WEIGHT: 252.3541
SMILES: CN1CCCN(C1C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N'-benzyl-N'-methyl-N-phenyl-propane-1,3-diamine
CAS Name: N'-methyl-N-phenyl-N'-(phenylmethyl)propane-1,3-diamine
IUPAC NAME: N'-benzyl-N'-methyl-N-phenylpropane-1,3-diamine
SYSTEMATIC NAME: N'-methyl-N-phenyl-N'-(phenylmethyl)propane-1,3-diamine
MOLECULAR FORMULA: C17H22N2
MOLECULAR WEIGHT: 254.36998
SMILES: CN(CCCNC1=CC=CC=C1)CC2=CC=CC=C2
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Product OPENEYE NAME: 8-chloro-4b-methyl-5H-isoindolo[2,1-a]benzimidazol-11-one
CAS Name: 8-chloro-4b-methyl-5H-isoindolo[2,1-a]benzimidazol-11-one
IUPAC NAME: 8-chloro-4b-methyl-5H-isoindolo[2,1-a]benzimidazol-11-one
SYSTEMATIC NAME: 8-chloranyl-4b-methyl-5H-isoindolo[2,1-a]benzimidazol-11-one
MOLECULAR FORMULA: C15H11ClN2O
MOLECULAR WEIGHT: 270.71364
SMILES: CC12C3=CC=CC=C3C(=O)N1C4=C(N2)C=CC(=C4)Cl
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Product OPENEYE NAME: 5-(benzenesulfonyl)-1-hydroxy-nonan-4-one
CAS Name: 5-(benzenesulfonyl)-1-hydroxy-4-nonanone
IUPAC NAME: 5-(benzenesulfonyl)-1-hydroxynonan-4-one
SYSTEMATIC NAME: 1-oxidanyl-5-(phenylsulfonyl)nonan-4-one
MOLECULAR FORMULA: C15H22O4S
MOLECULAR WEIGHT: 298.39778
SMILES: CCCCC(C(=O)CCCO)S(=O)(=O)C1=CC=CC=C1
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Product OPENEYE NAME: 5-(benzenesulfonyl)-1-hydroxy-undecan-4-one
CAS Name: 5-(benzenesulfonyl)-1-hydroxy-4-undecanone
IUPAC NAME: 5-(benzenesulfonyl)-1-hydroxyundecan-4-one
SYSTEMATIC NAME: 1-oxidanyl-5-(phenylsulfonyl)undecan-4-one
MOLECULAR FORMULA: C17H26O4S
MOLECULAR WEIGHT: 326.45094
SMILES: CCCCCCC(C(=O)CCCO)S(=O)(=O)C1=CC=CC=C1
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MOLECULAR FORMULA: C19H26N4O6
MOLECULAR WEIGHT: 406.43294
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)NOCC(C)C
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MOLECULAR FORMULA: C15H18N4O6
MOLECULAR WEIGHT: 350.32662
SMILES: CC1/C(=N/O)/C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4
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MOLECULAR FORMULA: C31H40N8O11
MOLECULAR WEIGHT: 700.6963
SMILES: CC\1CC2=C([C@H]([C@@]3(N2C[C@H]4[C@@H]3N4)OC)COC(=O)N)C(=O)/C1=N\O.CC1=C(C2=C([C@H]([C@@]3(N2C[C@H]4[C@@H]3N4)OC)COC(=O)N)C(=C1N=O)O)OC
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MOLECULAR FORMULA: C15H20N4O5
MOLECULAR WEIGHT: 336.3431
SMILES: CC\1CC2=C([C@H]([C@@]3(N2C[C@H]4[C@@H]3N4)OC)COC(=O)N)C(=O)/C1=N\O
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MOLECULAR FORMULA: C19H23N5O5S
MOLECULAR WEIGHT: 433.48142
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4C(=S)NCC=C)N
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MOLECULAR FORMULA: C23H24N4O7S
MOLECULAR WEIGHT: 500.52426
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4S(=O)(=O)/C=C/C5=CC=CC=C5)N
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