Tuesday, February 28, 2012

http://ChemLookup.com Compounds




CAS RN: 5667-70-9
CAS Name: carbamic acid (4-carbamoyloxy-3-methylpentan-2-yl) ester
OPENEYE Name: (3-carbamoyloxy-1,2-dimethyl-butyl) carbamate
IUPAC Name: (4-carbamoyloxy-3-methylpentan-2-yl) carbamate
SYSTEMATIC NAME: (4-aminocarbonyloxy-3-methyl-pentan-2-yl) carbamate
MOLECULAR FORMULA: C8H16N2O4
MOLECULAR WEIGHT: 204.22364
SMILES: CC(C(C)OC(=O)N)C(C)OC(=O)N
Structure:

CAS RN: 58503-83-6
CAS Name: 2-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]benzonitrile
OPENEYE Name: 2-[3-(1,1-dimethylpropylamino)-2-hydroxy-propoxy]benzonitrile
IUPAC Name: 2-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]benzonitrile
SYSTEMATIC NAME: 2-[3-(2-methylbutan-2-ylamino)-2-oxidanyl-propoxy]benzenecarbonitrile
MOLECULAR FORMULA: C15H22N2O2
MOLECULAR WEIGHT: 262.34738
SMILES: CCC(C)(C)NCC(COC1=CC=CC=C1C#N)O
Structure:

CAS RN: 41544-42-7
CAS Name: hexanedioic acid bis(4-methylcyclohexyl) ester
OPENEYE Name: bis(4-methylcyclohexyl) hexanedioate
IUPAC Name: bis(4-methylcyclohexyl) hexanedioate
SYSTEMATIC NAME: bis(4-methylcyclohexyl) hexanedioate
MOLECULAR FORMULA: C20H34O4
MOLECULAR WEIGHT: 338.48156
SMILES: CC1CCC(CC1)OC(=O)CCCCC(=O)OC2CCC(CC2)C
Structure:

CAS RN: 34114-01-7
CAS Name: N,N-dimethyl-3-[(1,2,2,6,6-pentamethyl-4-piperidinyl)oxy]-1-propanamine; nitric acid
OPENEYE Name: N,N-dimethyl-3-[(1,2,2,6,6-pentamethyl-4-piperidyl)oxy]propan-1-amine; nitric acid
IUPAC Name: N,N-dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-1-amine; nitric acid
SYSTEMATIC NAME: N,N-dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-propan-1-amine; nitric acid
MOLECULAR FORMULA: C15H34N4O7
MOLECULAR WEIGHT: 382.45306
SMILES: CC1(CC(CC(N1C)(C)C)OCCCN(C)C)C.[N+](=O)(O)[O-].[N+](=O)(O)[O-]
Structure:

CAS RN: 103238-56-8
CAS Name: 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(1H-indol-4-yloxy)-2-propanol
OPENEYE Name: 1-[[2-(1H-indol-3-yl)-1,1-dimethyl-ethyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol
IUPAC Name: 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(1H-indol-4-yloxy)propan-2-ol
SYSTEMATIC NAME: 1-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-3-(1H-indol-4-yloxy)propan-2-ol
MOLECULAR FORMULA: C23H27N3O2
MOLECULAR WEIGHT: 377.47938
SMILES: CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC4=C3C=CN4)O
Structure:

CAS RN: 61400-59-7
CAS Name: 1-[[(2S,4R)-2-(2,4-dichlorophenyl)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
OPENEYE Name: 1-[[(2S,4R)-2-(2,4-dichlorophenyl)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
IUPAC Name: 1-[[(2S,4R)-2-(2,4-dichlorophenyl)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
SYSTEMATIC NAME: 1-[[(2S,4R)-2-(2,4-dichlorophenyl)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
MOLECULAR FORMULA: C17H16Cl2N2O3
MOLECULAR WEIGHT: 367.22654
SMILES: C#CCOC[C@@H]1CO[C@@](O1)(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
Structure:

CAS RN: 62973-77-7
CAS Name: 1-[[(2S,4R)-2-(2,4-dichlorophenyl)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole hydrochloride
OPENEYE Name: 1-[[(2S,4R)-2-(2,4-dichlorophenyl)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole hydrochloride
IUPAC Name: 1-[[(2S,4R)-2-(2,4-dichlorophenyl)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole hydrochloride
SYSTEMATIC NAME: 1-[[(2S,4R)-2-(2,4-dichlorophenyl)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole hydrochloride
MOLECULAR FORMULA: C17H17Cl3N2O3
MOLECULAR WEIGHT: 403.68748
SMILES: C#CCOC[C@@H]1CO[C@@](O1)(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl.Cl
Structure:

CAS RN: 26513-79-1
CAS Name: 2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
OPENEYE Name: 2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
IUPAC Name: 2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SYSTEMATIC NAME: 2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide
MOLECULAR FORMULA: C10H10N2O3
MOLECULAR WEIGHT: 206.198
SMILES: C1C(=O)N(C2=CC=CC=C2O1)CC(=O)N
Structure:

CAS RN: 5585-60-4
CAS Name: 4-(9-fluorenylidenemethyl)benzenecarboximidamide hydrochloride
OPENEYE Name: 4-(fluoren-9-ylidenemethyl)benzamidine hydrochloride
IUPAC Name: 4-(fluoren-9-ylidenemethyl)benzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 4-(fluoren-9-ylidenemethyl)benzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C21H17ClN2
MOLECULAR WEIGHT: 332.82608
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2=CC4=CC=C(C=C4)C(=N)N.Cl
Structure:

CAS RN: 139225-22-2
CAS Name: (5S)-5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-piperidinyl]methyl]-3-(4-methoxyphenyl)-2-oxazolidinone
OPENEYE Name: (5S)-5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-piperidyl]methyl]-3-(4-methoxyphenyl)oxazolidin-2-one
IUPAC Name: (5S)-5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (5S)-5-[[4-(1,3-benzodioxol-5-yl)-4-oxidanyl-piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C23H26N2O6
MOLECULAR WEIGHT: 426.46234
SMILES: COC1=CC=C(C=C1)N2C[C@@H](OC2=O)CN3CCC(CC3)(C4=CC5=C(C=C4)OCO5)O
Structure:

CAS RN: 18118-80-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H28O6
MOLECULAR WEIGHT: 376.44342
SMILES: CC12CC([C@H]3C([C@@H]1CC[C@@]2(C(=O)OC)O)CCC(=O)C4C3(C=CC4=O)C)O
Structure:

CAS RN: 105149-04-0
CAS Name: (1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5-chloro-1-hydroxy-9a,11a-dimethyl-2,3,3a,3b,9,9b,10,11-octahydroindeno[4,5-h][2]benzopyran-7-one
OPENEYE Name: (1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5-chloro-1-hydroxy-9a,11a-dimethyl-2,3,3a,3b,9,9b,10,11-octahydroindeno[4,5-h]isochromen-7-one
IUPAC Name: (1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5-chloro-1-hydroxy-9a,11a-dimethyl-2,3,3a,3b,9,9b,10,11-octahydroindeno[4,5-h]isochromen-7-one
SYSTEMATIC NAME: (1R,3aS,3bR,9aR,9bS,11aS)-5-chloranyl-1-ethanoyl-9a,11a-dimethyl-1-oxidanyl-2,3,3a,3b,9,9b,10,11-octahydroindeno[4,5-h]isochromen-7-one
MOLECULAR FORMULA: C20H25ClO4
MOLECULAR WEIGHT: 364.8631
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)OC[C@]34C)Cl)C)O
Structure:

CAS RN: 210419-36-6
CAS Name: trimethyl-[3-(1-oxoundec-10-enylamino)propyl]ammonium iodide
OPENEYE Name: trimethyl-[3-(undec-10-enoylamino)propyl]ammonium iodide
IUPAC Name: trimethyl-[3-(undec-10-enoylamino)propyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[3-(undec-10-enoylamino)propyl]azanium iodide
MOLECULAR FORMULA: C17H35IN2O
MOLECULAR WEIGHT: 410.37707
SMILES: C[N+](C)(C)CCCNC(=O)CCCCCCCCC=C.[I-]
Structure:

CAS RN: 176894-09-0
CAS Name: 2-[(3R,4S)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)ethanone
OPENEYE Name: 2-[(3R,4S)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-piperidyl]-1-(4-fluorophenyl)ethanone
IUPAC Name: 2-[(3R,4S)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)ethanone
SYSTEMATIC NAME: 2-[(3R,4S)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)ethanone
MOLECULAR FORMULA: C27H25F2NO4
MOLECULAR WEIGHT: 465.488506
SMILES: C1CN(C[C@@H]([C@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4)CC(=O)C5=CC=C(C=C5)F
Structure:

CAS RN: 95382-33-5
CAS Name: magnesium 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
OPENEYE Name: magnesium 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-1H-benzimidazole
IUPAC Name: magnesium 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole
SYSTEMATIC NAME: magnesium 6-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-1H-benzimidazole
MOLECULAR FORMULA: C34H38MgN6O6S2+2
MOLECULAR WEIGHT: 715.13712
SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC.[Mg+2]
Structure:

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