CAS RN: 45521-09-3
CAS Name: (4S)-4-thiazolidinecarboxylic acid
OPENEYE Name: (4S)-thiazolidine-4-carboxylic acid
IUPAC Name: (4S)-1,3-thiazolidine-4-carboxylic acid
SYSTEMATIC NAME: (4S)-1,3-thiazolidine-4-carboxylic acid
MOLECULAR FORMULA: C4H7NO2S
MOLECULAR WEIGHT: 133.16888
SMILES: C1[C@@H](NCS1)C(=O)O
Structure:
CAS RN: 42605-21-0
CAS Name: N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(diethylamino)acetamide hydrochloride
OPENEYE Name: N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(diethylamino)acetamide hydrochloride
IUPAC Name: N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(diethylamino)acetamide hydrochloride
SYSTEMATIC NAME: N-[4-chloranyl-2-[oxidanyl(phenyl)methyl]phenyl]-2-(diethylamino)ethanamide hydrochloride
MOLECULAR FORMULA: C19H24Cl2N2O2
MOLECULAR WEIGHT: 383.31206
SMILES: CCN(CC)CC(=O)NC1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2)O.Cl
Structure:
CAS RN: 42605-17-4
CAS Name: N-[4-chloro-2-(phenylmethyl)phenyl]-2-(diethylamino)acetamide hydrochloride
OPENEYE Name: N-(2-benzyl-4-chloro-phenyl)-2-(diethylamino)acetamide hydrochloride
IUPAC Name: N-(2-benzyl-4-chlorophenyl)-2-(diethylamino)acetamide hydrochloride
SYSTEMATIC NAME: N-[4-chloranyl-2-(phenylmethyl)phenyl]-2-(diethylamino)ethanamide hydrochloride
MOLECULAR FORMULA: C19H24Cl2N2O
MOLECULAR WEIGHT: 367.31266
SMILES: CCN(CC)CC(=O)NC1=C(C=C(C=C1)Cl)CC2=CC=CC=C2.Cl
Structure:
CAS RN: 42585-60-4
CAS Name: 1-[4-[3-(dimethylamino)propyl]-3-phenyl-2,3-dihydro-1,4-benzothiazin-2-yl]ethanol hydrochloride
OPENEYE Name: 1-[4-[3-(dimethylamino)propyl]-3-phenyl-2,3-dihydro-1,4-benzothiazin-2-yl]ethanol hydrochloride
IUPAC Name: 1-[4-[3-(dimethylamino)propyl]-3-phenyl-2,3-dihydro-1,4-benzothiazin-2-yl]ethanol hydrochloride
SYSTEMATIC NAME: 1-[4-[3-(dimethylamino)propyl]-3-phenyl-2,3-dihydro-1,4-benzothiazin-2-yl]ethanol hydrochloride
MOLECULAR FORMULA: C21H29ClN2OS
MOLECULAR WEIGHT: 392.98576
SMILES: CC(C1C(N(C2=CC=CC=C2S1)CCCN(C)C)C3=CC=CC=C3)O.Cl
Structure:
CAS RN: 42505-79-3
CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid
OPENEYE Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; methanesulfonic acid
IUPAC Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid
SYSTEMATIC NAME: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; methanesulfonic acid
MOLECULAR FORMULA: C20H25ClN2O3S2
MOLECULAR WEIGHT: 441.0071
SMILES: CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.CS(=O)(=O)O
Structure:
CAS RN: 106043-39-4
CAS Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
OPENEYE Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
IUPAC Name: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CC12CC=CCC1C(=O)OC2=O
Structure:
CAS RN: 107845-04-5
CAS Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
OPENEYE Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
IUPAC Name: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CC12CC=CCC1C(=O)OC2=O
Structure:
CAS RN: 111366-44-0
CAS Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
OPENEYE Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
IUPAC Name: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CC12CC=CCC1C(=O)OC2=O
Structure:
CAS RN: 118772-35-3
CAS Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
OPENEYE Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
IUPAC Name: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CC12CC=CCC1C(=O)OC2=O
Structure:
CAS RN: 126968-21-6
CAS Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
OPENEYE Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
IUPAC Name: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CC12CC=CCC1C(=O)OC2=O
Structure:
CAS RN: 162355-24-0
CAS Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
OPENEYE Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
IUPAC Name: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CC12CC=CCC1C(=O)OC2=O
Structure:
CAS RN: 162774-69-8
CAS Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
OPENEYE Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
IUPAC Name: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CC12CC=CCC1C(=O)OC2=O
Structure:
CAS RN: 243130-22-5
CAS Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
OPENEYE Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
IUPAC Name: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CC12CC=CCC1C(=O)OC2=O
Structure:
CAS RN: 39363-65-0
CAS Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
OPENEYE Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
IUPAC Name: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CC12CC=CCC1C(=O)OC2=O
Structure:
CAS RN: 39475-52-0
CAS Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
OPENEYE Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
IUPAC Name: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CC12CC=CCC1C(=O)OC2=O
Structure:
CAS RN: 42498-58-8
CAS Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
OPENEYE Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
IUPAC Name: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CC12CC=CCC1C(=O)OC2=O
Structure:
CAS RN: 78214-29-6
CAS Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
OPENEYE Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
IUPAC Name: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CC12CC=CCC1C(=O)OC2=O
Structure:
CAS RN: 79217-82-6
CAS Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
OPENEYE Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
IUPAC Name: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CC12CC=CCC1C(=O)OC2=O
Structure:
CAS RN: 83712-43-0
CAS Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
OPENEYE Name: 7a-methyl-4,7-dihydro-3aH-isobenzofuran-1,3-dione
IUPAC Name: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CC12CC=CCC1C(=O)OC2=O
Structure:
CAS RN: 42064-89-1
CAS Name: 1-[3-(2-chlorophenoxy)-3-phenylpropyl]-1,2-dimethylpiperidin-1-ium iodide
OPENEYE Name: 1-[3-(2-chlorophenoxy)-3-phenyl-propyl]-1,2-dimethyl-piperidin-1-ium iodide
IUPAC Name: 1-[3-(2-chlorophenoxy)-3-phenylpropyl]-1,2-dimethylpiperidin-1-ium iodide
SYSTEMATIC NAME: 1-[3-(2-chloranylphenoxy)-3-phenyl-propyl]-1,2-dimethyl-piperidin-1-ium iodide
MOLECULAR FORMULA: C22H29ClINO
MOLECULAR WEIGHT: 485.82923
SMILES: CC1CCCC[N+]1(C)CCC(C2=CC=CC=C2)OC3=CC=CC=C3Cl.[I-]
Structure:
CAS RN: 42064-87-9
CAS Name: 1,2-dimethyl-1-[3-(2-methylphenoxy)-3-phenylpropyl]piperidin-1-ium bromide
OPENEYE Name: 1,2-dimethyl-1-[3-(2-methylphenoxy)-3-phenyl-propyl]piperidin-1-ium bromide
IUPAC Name: 1,2-dimethyl-1-[3-(2-methylphenoxy)-3-phenylpropyl]piperidin-1-ium bromide
SYSTEMATIC NAME: 1,2-dimethyl-1-[3-(2-methylphenoxy)-3-phenyl-propyl]piperidin-1-ium bromide
MOLECULAR FORMULA: C23H32BrNO
MOLECULAR WEIGHT: 418.41028
SMILES: CC1CCCC[N+]1(C)CCC(C2=CC=CC=C2)OC3=CC=CC=C3C.[Br-]
Structure:
CAS RN: 42048-72-6
CAS Name: 1-(2-amino-4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-1-butanone
OPENEYE Name: 1-(2-amino-4-fluoro-phenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidyl]butan-1-one
IUPAC Name: 1-(2-amino-4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
SYSTEMATIC NAME: 1-(2-azanyl-4-fluoranyl-phenyl)-4-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
MOLECULAR FORMULA: C22H24F4N2O2
MOLECULAR WEIGHT: 424.431773
SMILES: C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)CCCC(=O)C3=C(C=C(C=C3)F)N
Structure:
CAS RN: 41945-37-3
CAS Name: 3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine
OPENEYE Name: 3-bromo-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine
IUPAC Name: 3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 3-bromanyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C8H8BrN3
MOLECULAR WEIGHT: 226.07322
SMILES: CC1=CC(=NC2=C(C=NN12)Br)C
Structure:
CAS RN: 41859-57-8
CAS Name: 4-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
OPENEYE Name: 4-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
IUPAC Name: 4-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[2-(4-hydroxyphenyl)ethyl]benzamide
MOLECULAR FORMULA: C15H14ClNO2
MOLECULAR WEIGHT: 275.73016
SMILES: C1=CC(=CC=C1CCNC(=O)C2=CC=C(C=C2)Cl)O
Structure:
CAS RN: 41711-14-2
CAS Name: 2-(1-methyl-5-nitro-2-imidazolyl)pyrimidine
OPENEYE Name: 2-(1-methyl-5-nitro-imidazol-2-yl)pyrimidine
IUPAC Name: 2-(1-methyl-5-nitroimidazol-2-yl)pyrimidine
SYSTEMATIC NAME: 2-(1-methyl-5-nitro-imidazol-2-yl)pyrimidine
MOLECULAR FORMULA: C8H7N5O2
MOLECULAR WEIGHT: 205.17348
SMILES: CN1C(=CN=C1C2=NC=CC=N2)[N+](=O)[O-]
Structure:
CAS RN: 41533-75-9
CAS Name: 3-chloro-7-nitro-1,2-benzothiazole
OPENEYE Name: 3-chloro-7-nitro-1,2-benzothiazole
IUPAC Name: 3-chloro-7-nitro-1,2-benzothiazole
SYSTEMATIC NAME: 3-chloranyl-7-nitro-1,2-benzothiazole
MOLECULAR FORMULA: C7H3ClN2O2S
MOLECULAR WEIGHT: 214.62892
SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])SN=C2Cl
Structure:
CAS RN: 41340-36-7
CAS Name: 2-(7-ethyl-1H-indol-3-yl)ethanol
OPENEYE Name: 2-(7-ethyl-1H-indol-3-yl)ethanol
IUPAC Name: 2-(7-ethyl-1H-indol-3-yl)ethanol
SYSTEMATIC NAME: 2-(7-ethyl-1H-indol-3-yl)ethanol
MOLECULAR FORMULA: C12H15NO
MOLECULAR WEIGHT: 189.2536
SMILES: CCC1=CC=CC2=C1NC=C2CCO
Structure:
CAS RN: 41340-19-6
CAS Name: 2-(8-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(8-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate
IUPAC Name: ethyl 2-(8-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate
SYSTEMATIC NAME: ethyl 2-(8-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)ethanoate
MOLECULAR FORMULA: C16H19NO3
MOLECULAR WEIGHT: 273.32696
SMILES: CCOC(=O)CC1C2=C(CCO1)C3=C(N2)C(=CC=C3)C
Structure:
CAS RN: 41287-43-8
CAS Name: 7-chloro-4-[5-[2-(sulfothio)ethylamino]pentoxy]quinoline
OPENEYE Name: 7-chloro-4-[5-(2-sulfosulfanylethylamino)pentoxy]quinoline
IUPAC Name: 7-chloro-4-[5-(2-sulfosulfanylethylamino)pentoxy]quinoline
SYSTEMATIC NAME: 7-chloranyl-4-[5-(2-sulfosulfanylethylamino)pentoxy]quinoline
MOLECULAR FORMULA: C16H21ClN2O4S2
MOLECULAR WEIGHT: 404.93194
SMILES: C1=CC2=C(C=CN=C2C=C1Cl)OCCCCCNCCSS(=O)(=O)O
Structure:
CAS RN: 41220-64-8
CAS Name: 5-chloro-2-hydroxy-N-(3-hydroxypropyl)-N-phenylbenzamide
OPENEYE Name: 5-chloro-2-hydroxy-N-(3-hydroxypropyl)-N-phenyl-benzamide
IUPAC Name: 5-chloro-2-hydroxy-N-(3-hydroxypropyl)-N-phenylbenzamide
SYSTEMATIC NAME: 5-chloranyl-2-oxidanyl-N-(3-oxidanylpropyl)-N-phenyl-benzamide
MOLECULAR FORMULA: C16H16ClNO3
MOLECULAR WEIGHT: 305.75614
SMILES: C1=CC=C(C=C1)N(CCCO)C(=O)C2=C(C=CC(=C2)Cl)O
Structure:
CAS RN: 41135-83-5
CAS Name: 5-(4-chlorobutyl)-2-pyridinecarboxylic acid
OPENEYE Name: 5-(4-chlorobutyl)pyridine-2-carboxylic acid
IUPAC Name: 5-(4-chlorobutyl)pyridine-2-carboxylic acid
SYSTEMATIC NAME: 5-(4-chloranylbutyl)pyridine-2-carboxylic acid
MOLECULAR FORMULA: C10H12ClNO2
MOLECULAR WEIGHT: 213.66078
SMILES: C1=CC(=NC=C1CCCCCl)C(=O)O
Structure:
CAS RN: 41088-04-4
CAS Name: 1-methoxy-1-[3-(trifluoromethyl)phenyl]-2-propanamine hydrochloride
OPENEYE Name: 1-methoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine hydrochloride
IUPAC Name: 1-methoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine hydrochloride
SYSTEMATIC NAME: 1-methoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine hydrochloride
MOLECULAR FORMULA: C11H15ClF3NO
MOLECULAR WEIGHT: 269.69111
SMILES: CC(C(C1=CC(=CC=C1)C(F)(F)F)OC)N.Cl
Structure:
CAS RN: 41028-24-4
CAS Name: 2,6-ditert-butyl-4-[(methylthio)methyl]phenol
OPENEYE Name: 2,6-ditert-butyl-4-(methylsulfanylmethyl)phenol
IUPAC Name: 2,6-ditert-butyl-4-(methylsulfanylmethyl)phenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-(methylsulfanylmethyl)phenol
MOLECULAR FORMULA: C16H26OS
MOLECULAR WEIGHT: 266.44204
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CSC
Structure:
CAS RN: 40984-18-7
CAS Name: (2S,3S,4S,5R,6R)-2-(chloromethyl)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxy]oxane-3,4,5-triol
OPENEYE Name: (2S,3S,4S,5R,6R)-2-(chloromethyl)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3S,4S,5R,6R)-2-(chloromethyl)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6S)-2-[(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-(chloromethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C12H21ClO10
MOLECULAR WEIGHT: 360.74214
SMILES: C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CCl)O)O)O)O)O)O
Structure:
CAS RN: 40715-31-9
CAS Name: (3aS)-7-hydroxy-11a-methyl-3b,4,5,9b,10,11-hexahydro-3aH-naphtho[1,2-g]benzofuran-1-one
OPENEYE Name: (3aS)-7-hydroxy-11a-methyl-3b,4,5,9b,10,11-hexahydro-3aH-naphtho[1,2-g]benzofuran-1-one
IUPAC Name: (3aS)-7-hydroxy-11a-methyl-3b,4,5,9b,10,11-hexahydro-3aH-naphtho[1,2-g][1]benzofuran-1-one
SYSTEMATIC NAME: (3aS)-11a-methyl-7-oxidanyl-3b,4,5,9b,10,11-hexahydro-3aH-naphtho[1,2-g][1]benzofuran-1-one
MOLECULAR FORMULA: C17H20O3
MOLECULAR WEIGHT: 272.3389
SMILES: CC12CCC3C([C@@H]1OCC2=O)CCC4=C3C=CC(=C4)O
Structure:
CAS RN: 40675-60-3
CAS Name: 4-methyl-1-piperazinamine dihydrochloride
OPENEYE Name: 4-methylpiperazin-1-amine dihydrochloride
IUPAC Name: 4-methylpiperazin-1-amine dihydrochloride
SYSTEMATIC NAME: 4-methylpiperazin-1-amine dihydrochloride
MOLECULAR FORMULA: C5H15Cl2N3
MOLECULAR WEIGHT: 188.0987
SMILES: CN1CCN(CC1)N.Cl.Cl
Structure:
CAS RN: 40626-29-7
CAS Name: (2R)-2-amino-1-phenyl-1-propanol hydrochloride
OPENEYE Name: (2R)-2-amino-1-phenyl-propan-1-ol hydrochloride
IUPAC Name: (2R)-2-amino-1-phenylpropan-1-ol hydrochloride
SYSTEMATIC NAME: (2R)-2-azanyl-1-phenyl-propan-1-ol hydrochloride
MOLECULAR FORMULA: C9H14ClNO
MOLECULAR WEIGHT: 187.66656
SMILES: C[C@H](C(C1=CC=CC=C1)O)N.Cl
Structure:
CAS RN: 40618-52-8
CAS Name: butan-2-yloxy-ethyl-methoxy-sulfanylidenephosphorane
OPENEYE Name: ethyl-methoxy-sec-butoxy-thioxo-$l^{5}-phosphane
IUPAC Name: butan-2-yloxy-ethyl-methoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: butan-2-yloxy-ethyl-methoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C7H17O2PS
MOLECULAR WEIGHT: 196.247441
SMILES: CCC(C)OP(=S)(CC)OC
Structure:
CAS RN: 40556-24-9
CAS Name: N,N'-bis[(cyclohexylamino)-oxomethyl]-2,2-bis(prop-2-enyl)propanediamide
OPENEYE Name: 2,2-diallyl-N,N'-bis(cyclohexylcarbamoyl)propanediamide
IUPAC Name: N,N'-bis(cyclohexylcarbamoyl)-2,2-bis(prop-2-enyl)propanediamide
SYSTEMATIC NAME: N,N'-bis(cyclohexylcarbamoyl)-2,2-bis(prop-2-enyl)propanediamide
MOLECULAR FORMULA: C23H36N4O4
MOLECULAR WEIGHT: 432.55634
SMILES: C=CCC(CC=C)(C(=O)NC(=O)NC1CCCCC1)C(=O)NC(=O)NC2CCCCC2
Structure:
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