CAS RN: 66443-70-7
CAS Name: 3-[dimethyl(thiophen-2-yl)silyl]-1-propanamine
OPENEYE Name: 3-[dimethyl(2-thienyl)silyl]propan-1-amine
IUPAC Name: 3-[dimethyl(thiophen-2-yl)silyl]propan-1-amine
SYSTEMATIC NAME: 3-[dimethyl(thiophen-2-yl)silyl]propan-1-amine
MOLECULAR FORMULA: C9H17NSSi
MOLECULAR WEIGHT: 199.38848
SMILES: C[Si](C)(CCCN)C1=CC=CS1
Structure:
CAS RN: 66443-69-4
CAS Name: methyl-[3-(4-methyl-1-piperazinyl)propyl]-diphenylsilane dihydrochloride
OPENEYE Name: methyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenyl-silane dihydrochloride
IUPAC Name: methyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenylsilane dihydrochloride
SYSTEMATIC NAME: methyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenyl-silane dihydrochloride
MOLECULAR FORMULA: C21H32Cl2N2Si
MOLECULAR WEIGHT: 411.48368
SMILES: CN1CCN(CC1)CCC[Si](C)(C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl
Structure:
CAS RN: 66443-68-3
CAS Name: methyl-[3-(4-methyl-1-piperazinyl)propyl]-diphenylsilane
OPENEYE Name: methyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenyl-silane
IUPAC Name: methyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenylsilane
SYSTEMATIC NAME: methyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenyl-silane
MOLECULAR FORMULA: C21H30N2Si
MOLECULAR WEIGHT: 338.5618
SMILES: CN1CCN(CC1)CCC[Si](C)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 66443-67-2
CAS Name: methyl-[3-(4-morpholinyl)propyl]-diphenylsilane hydrochloride
OPENEYE Name: methyl-(3-morpholinopropyl)-diphenyl-silane hydrochloride
IUPAC Name: methyl-(3-morpholin-4-ylpropyl)-diphenylsilane hydrochloride
SYSTEMATIC NAME: methyl-(3-morpholin-4-ylpropyl)-diphenyl-silane hydrochloride
MOLECULAR FORMULA: C20H28ClNOSi
MOLECULAR WEIGHT: 361.98092
SMILES: C[Si](CCCN1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3.Cl
Structure:
CAS RN: 66443-66-1
CAS Name: methyl-[3-(4-morpholinyl)propyl]-diphenylsilane
OPENEYE Name: methyl-(3-morpholinopropyl)-diphenyl-silane
IUPAC Name: methyl-(3-morpholin-4-ylpropyl)-diphenylsilane
SYSTEMATIC NAME: methyl-(3-morpholin-4-ylpropyl)-diphenyl-silane
MOLECULAR FORMULA: C20H27NOSi
MOLECULAR WEIGHT: 325.51998
SMILES: C[Si](CCCN1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 66443-65-0
CAS Name: 3-triphenylsilyl-1-propanamine hydrochloride
OPENEYE Name: 3-triphenylsilylpropan-1-amine hydrochloride
IUPAC Name: 3-triphenylsilylpropan-1-amine hydrochloride
SYSTEMATIC NAME: 3-triphenylsilylpropan-1-amine hydrochloride
MOLECULAR FORMULA: C21H24ClNSi
MOLECULAR WEIGHT: 353.96046
SMILES: C1=CC=C(C=C1)[Si](CCCN)(C2=CC=CC=C2)C3=CC=CC=C3.Cl
Structure:
CAS RN: 66443-63-8
CAS Name: 3-[2-furanyl(dimethyl)silyl]-1-propanamine
OPENEYE Name: 3-[2-furyl(dimethyl)silyl]propan-1-amine
IUPAC Name: 3-[furan-2-yl(dimethyl)silyl]propan-1-amine
SYSTEMATIC NAME: 3-[furan-2-yl(dimethyl)silyl]propan-1-amine
MOLECULAR FORMULA: C9H17NOSi
MOLECULAR WEIGHT: 183.32288
SMILES: C[Si](C)(CCCN)C1=CC=CO1
Structure:
CAS RN: 66440-03-7
CAS Name: (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenyl-4-piperidinone hydrochloride
OPENEYE Name: (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenyl-piperidin-4-one hydrochloride
IUPAC Name: (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one hydrochloride
SYSTEMATIC NAME: (2S,5S)-1,5-dimethyl-5-oxidanyl-2-phenyl-piperidin-4-one hydrochloride
MOLECULAR FORMULA: C13H18ClNO2
MOLECULAR WEIGHT: 255.74052
SMILES: C[C@@]1(CN([C@@H](CC1=O)C2=CC=CC=C2)C)O.Cl
Structure:
CAS RN: 66440-01-5
CAS Name: (2S,5S)-5-hydroxy-5-methyl-2-phenyl-4-piperidinone hydrochloride
OPENEYE Name: (2S,5S)-5-hydroxy-5-methyl-2-phenyl-piperidin-4-one hydrochloride
IUPAC Name: (2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one hydrochloride
SYSTEMATIC NAME: (2S,5S)-5-methyl-5-oxidanyl-2-phenyl-piperidin-4-one hydrochloride
MOLECULAR FORMULA: C12H16ClNO2
MOLECULAR WEIGHT: 241.71394
SMILES: C[C@@]1(CN[C@@H](CC1=O)C2=CC=CC=C2)O.Cl
Structure:
CAS RN: 66440-00-4
CAS Name: (2S,5S)-5-hydroxy-2-(4-methoxyphenyl)-5-methyl-1-(phenylmethyl)-4-piperidinone hydrochloride
OPENEYE Name: (2S,5S)-1-benzyl-5-hydroxy-2-(4-methoxyphenyl)-5-methyl-piperidin-4-one hydrochloride
IUPAC Name: (2S,5S)-1-benzyl-5-hydroxy-2-(4-methoxyphenyl)-5-methylpiperidin-4-one hydrochloride
SYSTEMATIC NAME: (2S,5S)-2-(4-methoxyphenyl)-5-methyl-5-oxidanyl-1-(phenylmethyl)piperidin-4-one hydrochloride
MOLECULAR FORMULA: C20H24ClNO3
MOLECULAR WEIGHT: 361.86246
SMILES: C[C@@]1(CN([C@@H](CC1=O)C2=CC=C(C=C2)OC)CC3=CC=CC=C3)O.Cl
Structure:
CAS RN: 66439-99-4
CAS Name: (2S,5S)-5-hydroxy-5-methyl-2-phenyl-1-(phenylmethyl)-4-piperidinone hydrochloride
OPENEYE Name: (2S,5S)-1-benzyl-5-hydroxy-5-methyl-2-phenyl-piperidin-4-one hydrochloride
IUPAC Name: (2S,5S)-1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one hydrochloride
SYSTEMATIC NAME: (2S,5S)-5-methyl-5-oxidanyl-2-phenyl-1-(phenylmethyl)piperidin-4-one hydrochloride
MOLECULAR FORMULA: C19H22ClNO2
MOLECULAR WEIGHT: 331.83648
SMILES: C[C@@]1(CN([C@@H](CC1=O)C2=CC=CC=C2)CC3=CC=CC=C3)O.Cl
Structure:
CAS RN: 66439-98-3
CAS Name: (2S,5R)-5-hydroxy-1,5-dimethyl-2-(4-nitrophenyl)-4-piperidinone hydrochloride
OPENEYE Name: (2S,5R)-5-hydroxy-1,5-dimethyl-2-(4-nitrophenyl)piperidin-4-one hydrochloride
IUPAC Name: (2S,5R)-5-hydroxy-1,5-dimethyl-2-(4-nitrophenyl)piperidin-4-one hydrochloride
SYSTEMATIC NAME: (2S,5R)-1,5-dimethyl-2-(4-nitrophenyl)-5-oxidanyl-piperidin-4-one hydrochloride
MOLECULAR FORMULA: C13H17ClN2O4
MOLECULAR WEIGHT: 300.73808
SMILES: C[C@]1(CN([C@@H](CC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C)O.Cl
Structure:
CAS RN: 66439-94-9
CAS Name: (2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethyl-4-piperidinone hydrochloride
OPENEYE Name: (2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethyl-piperidin-4-one hydrochloride
IUPAC Name: (2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one hydrochloride
SYSTEMATIC NAME: (2S,5R)-2-(2-fluorophenyl)-1,5-dimethyl-5-oxidanyl-piperidin-4-one hydrochloride
MOLECULAR FORMULA: C13H17ClFNO2
MOLECULAR WEIGHT: 273.730983
SMILES: C[C@]1(CN([C@@H](CC1=O)C2=CC=CC=C2F)C)O.Cl
Structure:
CAS RN: 66439-92-7
CAS Name: (2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethyl-4-piperidinone hydrochloride
OPENEYE Name: (2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethyl-piperidin-4-one hydrochloride
IUPAC Name: (2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one hydrochloride
SYSTEMATIC NAME: (2S,5R)-2-(2,4-dimethoxyphenyl)-1,5-dimethyl-5-oxidanyl-piperidin-4-one hydrochloride
MOLECULAR FORMULA: C15H22ClNO4
MOLECULAR WEIGHT: 315.79248
SMILES: C[C@]1(CN([C@@H](CC1=O)C2=C(C=C(C=C2)OC)OC)C)O.Cl
Structure:
CAS RN: 66439-90-5
CAS Name: (2S,5R)-5-hydroxy-1,5-dimethyl-2-(1-naphthalenyl)-4-piperidinone hydrochloride
OPENEYE Name: (2S,5R)-5-hydroxy-1,5-dimethyl-2-(1-naphthyl)piperidin-4-one hydrochloride
IUPAC Name: (2S,5R)-5-hydroxy-1,5-dimethyl-2-naphthalen-1-ylpiperidin-4-one hydrochloride
SYSTEMATIC NAME: (2S,5R)-1,5-dimethyl-2-naphthalen-1-yl-5-oxidanyl-piperidin-4-one hydrochloride
MOLECULAR FORMULA: C17H20ClNO2
MOLECULAR WEIGHT: 305.7992
SMILES: C[C@]1(CN([C@@H](CC1=O)C2=CC=CC3=CC=CC=C32)C)O.Cl
Structure:
CAS RN: 66439-89-2
CAS Name: (2S,5R)-5-hydroxy-1,5-dimethyl-2-(4-methylphenyl)-4-piperidinone hydrochloride
OPENEYE Name: (2S,5R)-5-hydroxy-1,5-dimethyl-2-(p-tolyl)piperidin-4-one hydrochloride
IUPAC Name: (2S,5R)-5-hydroxy-1,5-dimethyl-2-(4-methylphenyl)piperidin-4-one hydrochloride
SYSTEMATIC NAME: (2S,5R)-1,5-dimethyl-2-(4-methylphenyl)-5-oxidanyl-piperidin-4-one hydrochloride
MOLECULAR FORMULA: C14H20ClNO2
MOLECULAR WEIGHT: 269.7671
SMILES: CC1=CC=C(C=C1)[C@@H]2CC(=O)[C@](CN2C)(C)O.Cl
Structure:
CAS RN: 66439-88-1
CAS Name: (2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)-4-piperidinone hydrochloride
OPENEYE Name: (2S,5R)-5-hydroxy-1,5-dimethyl-2-(m-tolyl)piperidin-4-one hydrochloride
IUPAC Name: (2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)piperidin-4-one hydrochloride
SYSTEMATIC NAME: (2S,5R)-1,5-dimethyl-2-(3-methylphenyl)-5-oxidanyl-piperidin-4-one hydrochloride
MOLECULAR FORMULA: C14H20ClNO2
MOLECULAR WEIGHT: 269.7671
SMILES: CC1=CC=CC(=C1)[C@@H]2CC(=O)[C@](CN2C)(C)O.Cl
Structure:
CAS RN: 66421-20-3
CAS Name: (2R)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)propanoic acid
OPENEYE Name: (2R)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
IUPAC Name: (2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: (2R)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C20H21N3O3
MOLECULAR WEIGHT: 351.39904
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)O)N
Structure:
CAS RN: 66393-10-0
CAS Name: 2-[(1S,8S)-1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]-1-(4-phenylphenyl)ethanone bromide
OPENEYE Name: 2-[(1S,8S)-1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]-1-(4-phenylphenyl)ethanone bromide
IUPAC Name: 2-[(1S,8S)-1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]-1-(4-phenylphenyl)ethanone bromide
SYSTEMATIC NAME: 2-[(1S,8S)-1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]-1-(4-phenylphenyl)ethanone bromide
MOLECULAR FORMULA: C22H26BrNO
MOLECULAR WEIGHT: 400.35194
SMILES: C[C@H]1CC[N+]2([C@H]1CCC2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.[Br-]
Structure:
CAS RN: 66392-65-2
CAS Name: 3-[(1S)-1-phenylethyl]-4-imidazolecarboxylic acid methyl ester hydrochloride
OPENEYE Name: methyl 3-[(1S)-1-phenylethyl]imidazole-4-carboxylate hydrochloride
IUPAC Name: methyl 3-[(1S)-1-phenylethyl]imidazole-4-carboxylate hydrochloride
SYSTEMATIC NAME: methyl 3-[(1S)-1-phenylethyl]imidazole-4-carboxylate hydrochloride
MOLECULAR FORMULA: C13H15ClN2O2
MOLECULAR WEIGHT: 266.7234
SMILES: C[C@@H](C1=CC=CC=C1)N2C=NC=C2C(=O)OC.Cl
Structure:
CAS RN: 52829-30-8
CAS Name: 7-chloro-1-(2,3-dihydroxypropyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
OPENEYE Name: 7-chloro-1-(2,3-dihydroxypropyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
IUPAC Name: 7-chloro-1-(2,3-dihydroxypropyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 1-[2,3-bis(oxidanyl)propyl]-7-chloranyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C18H16ClFN2O3
MOLECULAR WEIGHT: 362.782643
SMILES: C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(CO)O
Structure:
CAS RN: 13931-64-1
CAS Name: carbamic acid 1-cyclohexylpropyl ester
OPENEYE Name: 1-cyclohexylpropyl carbamate
IUPAC Name: 1-cyclohexylpropyl carbamate
SYSTEMATIC NAME: 1-cyclohexylpropyl carbamate
MOLECULAR FORMULA: C10H19NO2
MOLECULAR WEIGHT: 185.26336
SMILES: CCC(C1CCCCC1)OC(=O)N
Structure:
CAS RN: 95374-52-0
CAS Name: 5-cyano-N-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-2-methoxybenzamide
OPENEYE Name: 5-cyano-N-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-2-methoxy-benzamide
IUPAC Name: 5-cyano-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methoxybenzamide
SYSTEMATIC NAME: 5-cyano-N-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-2-methoxy-benzamide
MOLECULAR FORMULA: C23H24FN3O3
MOLECULAR WEIGHT: 409.453363
SMILES: COC1=C(C=C(C=C1)C#N)C(=O)NCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F
Structure:
CAS RN: 55837-22-4
CAS Name: 3-methoxybenzoic acid 3-(1-piperidinyl)propyl ester
OPENEYE Name: 3-(1-piperidyl)propyl 3-methoxybenzoate
IUPAC Name: 3-piperidin-1-ylpropyl 3-methoxybenzoate
SYSTEMATIC NAME: 3-piperidin-1-ylpropyl 3-methoxybenzoate
MOLECULAR FORMULA: C16H23NO3
MOLECULAR WEIGHT: 277.35872
SMILES: COC1=CC=CC(=C1)C(=O)OCCCN2CCCCC2
Structure:
CAS RN: 30840-27-8
CAS Name: N-methyl-N-[3-(6-methyl-5,5-dioxo-11-benzo[c][1,2,5]benzothiadiazepinyl)propyl]-1-phenyl-2-propanamine
OPENEYE Name: N-methyl-N-[3-(6-methyl-5,5-dioxo-benzo[c][1,2,5]benzothiadiazepin-11-yl)propyl]-1-phenyl-propan-2-amine
IUPAC Name: N-methyl-N-[3-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)propyl]-1-phenylpropan-2-amine
SYSTEMATIC NAME: N-methyl-N-[3-[6-methyl-5,5-bis(oxidanylidene)benzo[c][1,2,5]benzothiadiazepin-11-yl]propyl]-1-phenyl-propan-2-amine
MOLECULAR FORMULA: C26H31N3O2S
MOLECULAR WEIGHT: 449.60824
SMILES: CC(CC1=CC=CC=C1)N(C)CCCN2C3=CC=CC=C3N(S(=O)(=O)C4=CC=CC=C42)C
Structure:
CAS RN: 57775-28-7
CAS Name: 2-[3-(trifluoromethyl)anilino]benzoic acid 3-methylbut-2-enyl ester
OPENEYE Name: 3-methylbut-2-enyl 2-[3-(trifluoromethyl)anilino]benzoate
IUPAC Name: 3-methylbut-2-enyl 2-[3-(trifluoromethyl)anilino]benzoate
SYSTEMATIC NAME: 3-methylbut-2-enyl 2-[[3-(trifluoromethyl)phenyl]amino]benzoate
MOLECULAR FORMULA: C19H18F3NO2
MOLECULAR WEIGHT: 349.34693
SMILES: CC(=CCOC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F)C
Structure:
CAS RN: 1613-24-7
CAS Name: 4-(diethylamino)-2-(phenylmethyl)butanoic acid
OPENEYE Name: 2-benzyl-4-(diethylamino)butanoic acid
IUPAC Name: 2-benzyl-4-(diethylamino)butanoic acid
SYSTEMATIC NAME: 4-(diethylamino)-2-(phenylmethyl)butanoic acid
MOLECULAR FORMULA: C15H23NO2
MOLECULAR WEIGHT: 249.34862
SMILES: CCN(CC)CCC(CC1=CC=CC=C1)C(=O)O
Structure:
CAS RN: 53789-60-9
CAS Name: 4-(diethylamino)-2-(phenylmethyl)butanoic acid
OPENEYE Name: 2-benzyl-4-(diethylamino)butanoic acid
IUPAC Name: 2-benzyl-4-(diethylamino)butanoic acid
SYSTEMATIC NAME: 4-(diethylamino)-2-(phenylmethyl)butanoic acid
MOLECULAR FORMULA: C15H23NO2
MOLECULAR WEIGHT: 249.34862
SMILES: CCN(CC)CCC(CC1=CC=CC=C1)C(=O)O
Structure:
CAS RN: 127648-32-2
CAS Name: 3-methyl-4-[(4-oxo-2-thiazolyl)amino]benzoic acid
OPENEYE Name: 3-methyl-4-[(4-oxothiazol-2-yl)amino]benzoic acid
IUPAC Name: 3-methyl-4-[(4-oxo-1,3-thiazol-2-yl)amino]benzoic acid
SYSTEMATIC NAME: 3-methyl-4-[(4-oxidanylidene-1,3-thiazol-2-yl)amino]benzoic acid
MOLECULAR FORMULA: C11H10N2O3S
MOLECULAR WEIGHT: 250.2737
SMILES: CC1=C(C=CC(=C1)C(=O)O)NC2=NC(=O)CS2
Structure:
CAS RN: 127648-31-1
CAS Name: 4-(4,5-dihydrothiazol-2-ylamino)-3-methylbenzoic acid
OPENEYE Name: 4-(4,5-dihydrothiazol-2-ylamino)-3-methyl-benzoic acid
IUPAC Name: 4-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methylbenzoic acid
SYSTEMATIC NAME: 4-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-benzoic acid
MOLECULAR FORMULA: C11H12N2O2S
MOLECULAR WEIGHT: 236.29018
SMILES: CC1=C(C=CC(=C1)C(=O)O)NC2=NCCS2
Structure:
CAS RN: 99520-31-7
CAS Name: (5S,6R)-5-[(R)-[(2S)-5,6-dihydroxy-1,4-dioxan-2-yl]-hydroxymethyl]-6-(hydroxymethyl)-1,4-dioxane-2,3-diol
OPENEYE Name: (5S,6R)-5-[(R)-[(2S)-5,6-dihydroxy-1,4-dioxan-2-yl]-hydroxy-methyl]-6-(hydroxymethyl)-1,4-dioxane-2,3-diol
IUPAC Name: (5S,6R)-5-[(R)-[(2S)-5,6-dihydroxy-1,4-dioxan-2-yl]-hydroxymethyl]-6-(hydroxymethyl)-1,4-dioxane-2,3-diol
SYSTEMATIC NAME: (5S,6R)-5-[(R)-[(2S)-5,6-bis(oxidanyl)-1,4-dioxan-2-yl]-oxidanyl-methyl]-6-(hydroxymethyl)-1,4-dioxane-2,3-diol
MOLECULAR FORMULA: C10H18O10
MOLECULAR WEIGHT: 298.24392
SMILES: C1[C@H](OC(C(O1)O)O)[C@H]([C@H]2[C@H](OC(C(O2)O)O)CO)O
Structure:
CAS RN: 99520-32-8
CAS Name: (5S,6R)-5-[(R)-[(2S)-5,6-dihydroxy-1,4-dioxan-2-yl]-hydroxymethyl]-6-(hydroxymethyl)-1,4-dioxane-2,3-diol
OPENEYE Name: (5S,6R)-5-[(R)-[(2S)-5,6-dihydroxy-1,4-dioxan-2-yl]-hydroxy-methyl]-6-(hydroxymethyl)-1,4-dioxane-2,3-diol
IUPAC Name: (5S,6R)-5-[(R)-[(2S)-5,6-dihydroxy-1,4-dioxan-2-yl]-hydroxymethyl]-6-(hydroxymethyl)-1,4-dioxane-2,3-diol
SYSTEMATIC NAME: (5S,6R)-5-[(R)-[(2S)-5,6-bis(oxidanyl)-1,4-dioxan-2-yl]-oxidanyl-methyl]-6-(hydroxymethyl)-1,4-dioxane-2,3-diol
MOLECULAR FORMULA: C10H18O10
MOLECULAR WEIGHT: 298.24392
SMILES: C1[C@H](OC(C(O1)O)O)[C@H]([C@H]2[C@H](OC(C(O2)O)O)CO)O
Structure:
CAS RN: 65236-29-5
CAS Name: N-[2-(diphenylmethyl)oxyethyl]-N-methyl-1-phenoxy-2-propanamine
OPENEYE Name: N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxy-propan-2-amine
IUPAC Name: N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine
SYSTEMATIC NAME: N-[2-(diphenylmethyl)oxyethyl]-N-methyl-1-phenoxy-propan-2-amine
MOLECULAR FORMULA: C25H29NO2
MOLECULAR WEIGHT: 375.50326
SMILES: CC(COC1=CC=CC=C1)N(C)CCOC(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 2409-26-9
CAS Name: 5-phenyl-5-(2-piperidinylmethyl)-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-phenyl-5-(2-piperidylmethyl)hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-phenyl-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-phenyl-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C16H19N3O3
MOLECULAR WEIGHT: 301.34036
SMILES: C1CCNC(C1)CC2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3
Structure:
CAS RN: 104086-74-0
CAS Name: (4aS,6aS,7S,11aR,11bS)-7-hydroxy-4,4,11b-trimethyl-1,2,3,4a,5,6,7,8,11,11a-decahydrocyclohepta[a]naphthalene-6a,9-dicarboxaldehyde
OPENEYE Name: (4aS,6aS,7S,11aR,11bS)-7-hydroxy-4,4,11b-trimethyl-1,2,3,4a,5,6,7,8,11,11a-decahydrocyclohepta[a]naphthalene-6a,9-dicarbaldehyde
IUPAC Name: (4aS,6aS,7S,11aR,11bS)-7-hydroxy-4,4,11b-trimethyl-1,2,3,4a,5,6,7,8,11,11a-decahydrocyclohepta[a]naphthalene-6a,9-dicarbaldehyde
SYSTEMATIC NAME: (4aS,6aS,7S,11aR,11bS)-4,4,11b-trimethyl-7-oxidanyl-1,2,3,4a,5,6,7,8,11,11a-decahydrocyclohepta[a]naphthalene-6a,9-dicarbaldehyde
MOLECULAR FORMULA: C20H30O3
MOLECULAR WEIGHT: 318.4504
SMILES: C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC=C(C[C@@H]3O)C=O)C=O)(C)C
Structure:
CAS RN: 125445-59-2
CAS Name: (2S)-2-methyl-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2,3-dihydropyran-6-one
OPENEYE Name: (2S)-2-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3-dihydropyran-6-one
IUPAC Name: (2S)-2-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one
SYSTEMATIC NAME: (2S)-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methyl-2,3-dihydropyran-6-one
MOLECULAR FORMULA: C12H18O8
MOLECULAR WEIGHT: 290.26652
SMILES: C[C@H]1CC(=CC(=O)O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 33276-04-9
CAS Name: (4S,6S)-6-methyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanone
OPENEYE Name: (4S,6S)-6-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-one
IUPAC Name: (4S,6S)-6-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-one
SYSTEMATIC NAME: (4S,6S)-4-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-oxan-2-one
MOLECULAR FORMULA: C12H20O8
MOLECULAR WEIGHT: 292.2824
SMILES: C[C@H]1C[C@@H](CC(=O)O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 145413-90-7
CAS Name: 2,3,6-trichloro-4-(2,4,5-trichlorophenyl)phenol
OPENEYE Name: 2,3,6-trichloro-4-(2,4,5-trichlorophenyl)phenol
IUPAC Name: 2,3,6-trichloro-4-(2,4,5-trichlorophenyl)phenol
SYSTEMATIC NAME: 2,3,6-tris(chloranyl)-4-[2,4,5-tris(chloranyl)phenyl]phenol
MOLECULAR FORMULA: C12H4Cl6O
MOLECULAR WEIGHT: 376.87756
SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)O)Cl
Structure:
CAS RN: 145420-23-1
CAS Name: 2,3,6-trichloro-4-(2,4,5-trichlorophenyl)phenol
OPENEYE Name: 2,3,6-trichloro-4-(2,4,5-trichlorophenyl)phenol
IUPAC Name: 2,3,6-trichloro-4-(2,4,5-trichlorophenyl)phenol
SYSTEMATIC NAME: 2,3,6-tris(chloranyl)-4-[2,4,5-tris(chloranyl)phenyl]phenol
MOLECULAR FORMULA: C12H4Cl6O
MOLECULAR WEIGHT: 376.87756
SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)O)Cl
Structure:
CAS RN: 58264-17-8
CAS Name: 1,2,3,3,4,4-hexachlorocyclohexene
OPENEYE Name: 1,2,3,3,4,4-hexachlorocyclohexene
IUPAC Name: 1,2,3,3,4,4-hexachlorocyclohexene
SYSTEMATIC NAME: 1,2,3,3,4,4-hexakis(chloranyl)cyclohexene
MOLECULAR FORMULA: C6H4Cl6
MOLECULAR WEIGHT: 288.81396
SMILES: C1CC(C(C(=C1Cl)Cl)(Cl)Cl)(Cl)Cl
Structure:
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