CAS RN: 86651-71-0
CAS Name: 7,9-diacetyloxy-4-[[5-[[4-acetyloxy-6-methyl-5-[(6-methyl-5-oxo-2-oxanyl)oxy]-2-oxanyl]oxy]-4-(dimethylamino)-6-methyl-2-oxanyl]oxy]-2-ethyl-2,5-dihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester
OPENEYE Name: methyl 7,9-diacetoxy-4-[5-[4-acetoxy-6-methyl-5-(6-methyl-5-oxo-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5-dihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
IUPAC Name: methyl 7,9-diacetyloxy-4-[5-[4-acetyloxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5-dihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
SYSTEMATIC NAME: methyl 7,9-diacetyloxy-4-[5-[4-acetyloxy-6-methyl-5-(6-methyl-5-oxidanylidene-oxan-2-yl)oxy-oxan-2-yl]oxy-4-(dimethylamino)-6-methyl-oxan-2-yl]oxy-2-ethyl-2,5-bis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate
MOLECULAR FORMULA: C48H59NO19
MOLECULAR WEIGHT: 953.97736
SMILES: CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C=C(C=C4C3=O)OC(=O)C)OC(=O)C)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)OC(=O)C)N(C)C)O
Structure:
CAS RN: 86641-77-2
CAS Name: 3-bromo-1-[12-(3-bromo-1-oxopropyl)-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]-1-propanone dibromide
OPENEYE Name: 3-bromo-1-[12-(3-bromopropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]propan-1-one dibromide
IUPAC Name: 3-bromo-1-[12-(3-bromopropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]propan-1-one dibromide
SYSTEMATIC NAME: 3-bromanyl-1-[12-(3-bromanylpropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]propan-1-one dibromide
MOLECULAR FORMULA: C18H32Br4N4O2
MOLECULAR WEIGHT: 656.08828
SMILES: C1C[N+]2(CCN1C(=O)CCBr)CC[N+]3(CCN(CC3)C(=O)CCBr)CC2.[Br-].[Br-]
Structure:
CAS RN: 86640-28-0
CAS Name: 2-(6,11-dihydrobenzo[c][1,5]benzoxazepin-6-yl)-N,N-dimethylethanamine hydrochloride
OPENEYE Name: 2-(6,11-dihydrobenzo[c][1,5]benzoxazepin-6-yl)-N,N-dimethyl-ethanamine hydrochloride
IUPAC Name: 2-(6,11-dihydrobenzo[c][1,5]benzoxazepin-6-yl)-N,N-dimethylethanamine hydrochloride
SYSTEMATIC NAME: 2-(6,11-dihydrobenzo[c][1,5]benzoxazepin-6-yl)-N,N-dimethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C17H21ClN2O
MOLECULAR WEIGHT: 304.81444
SMILES: CN(C)CCC1C2=CC=CC=C2NC3=CC=CC=C3O1.Cl
Structure:
CAS RN: 86640-27-9
CAS Name: 1-[6-[2-(1-piperidinyl)ethyl]-6H-benzo[c][1,5]benzoxazepin-11-yl]ethanone hydrochloride
OPENEYE Name: 1-[6-[2-(1-piperidyl)ethyl]-6H-benzo[c][1,5]benzoxazepin-11-yl]ethanone hydrochloride
IUPAC Name: 1-[6-(2-piperidin-1-ylethyl)-6H-benzo[c][1,5]benzoxazepin-11-yl]ethanone hydrochloride
SYSTEMATIC NAME: 1-[6-(2-piperidin-1-ylethyl)-6H-benzo[c][1,5]benzoxazepin-11-yl]ethanone hydrochloride
MOLECULAR FORMULA: C22H27ClN2O2
MOLECULAR WEIGHT: 386.91498
SMILES: CC(=O)N1C2=CC=CC=C2C(OC3=CC=CC=C31)CCN4CCCCC4.Cl
Structure:
CAS RN: 86640-26-8
CAS Name: 1-[6-[2-(1-pyrrolidinyl)ethyl]-6H-benzo[c][1,5]benzoxazepin-11-yl]ethanone hydrochloride
OPENEYE Name: 1-[6-(2-pyrrolidin-1-ylethyl)-6H-benzo[c][1,5]benzoxazepin-11-yl]ethanone hydrochloride
IUPAC Name: 1-[6-(2-pyrrolidin-1-ylethyl)-6H-benzo[c][1,5]benzoxazepin-11-yl]ethanone hydrochloride
SYSTEMATIC NAME: 1-[6-(2-pyrrolidin-1-ylethyl)-6H-benzo[c][1,5]benzoxazepin-11-yl]ethanone hydrochloride
MOLECULAR FORMULA: C21H25ClN2O2
MOLECULAR WEIGHT: 372.8884
SMILES: CC(=O)N1C2=CC=CC=C2C(OC3=CC=CC=C31)CCN4CCCC4.Cl
Structure:
CAS RN: 86640-25-7
CAS Name: 1-[6-[2-(dimethylamino)ethyl]-6H-benzo[c][1,5]benzoxazepin-11-yl]ethanone hydrochloride
OPENEYE Name: 1-[6-[2-(dimethylamino)ethyl]-6H-benzo[c][1,5]benzoxazepin-11-yl]ethanone hydrochloride
IUPAC Name: 1-[6-[2-(dimethylamino)ethyl]-6H-benzo[c][1,5]benzoxazepin-11-yl]ethanone hydrochloride
SYSTEMATIC NAME: 1-[6-[2-(dimethylamino)ethyl]-6H-benzo[c][1,5]benzoxazepin-11-yl]ethanone hydrochloride
MOLECULAR FORMULA: C19H23ClN2O2
MOLECULAR WEIGHT: 346.85112
SMILES: CC(=O)N1C2=CC=CC=C2C(OC3=CC=CC=C31)CCN(C)C.Cl
Structure:
CAS RN: 86640-24-6
CAS Name: 1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)ethyl]-4-methylpiperazine dihydrochloride
OPENEYE Name: 1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)ethyl]-4-methyl-piperazine dihydrochloride
IUPAC Name: 1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)ethyl]-4-methylpiperazine dihydrochloride
SYSTEMATIC NAME: 1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)ethyl]-4-methyl-piperazine dihydrochloride
MOLECULAR FORMULA: C21H28Cl2N2O
MOLECULAR WEIGHT: 395.36582
SMILES: CN1CCN(CC1)CCC2C3=CC=CC=C3CC4=CC=CC=C4O2.Cl.Cl
Structure:
CAS RN: 86640-23-5
CAS Name: 1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)ethyl]piperidine hydrochloride
OPENEYE Name: 1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)ethyl]piperidine hydrochloride
IUPAC Name: 1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)ethyl]piperidine hydrochloride
SYSTEMATIC NAME: 1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)ethyl]piperidine hydrochloride
MOLECULAR FORMULA: C21H26ClNO
MOLECULAR WEIGHT: 343.89024
SMILES: C1CCN(CC1)CCC2C3=CC=CC=C3CC4=CC=CC=C4O2.Cl
Structure:
CAS RN: 86628-28-6
CAS Name: 2-(7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)acetic acid methyl ester
OPENEYE Name: methyl 2-(7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)acetate
IUPAC Name: methyl 2-(7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)acetate
SYSTEMATIC NAME: methyl 2-(7-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)ethanoate
MOLECULAR FORMULA: C13H15NO3S
MOLECULAR WEIGHT: 265.3281
SMILES: CC1=CC2=C(C=C1)SC(CC(=O)N2)CC(=O)OC
Structure:
CAS RN: 86628-27-5
CAS Name: 2-(7-chloro-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)acetic acid methyl ester
OPENEYE Name: methyl 2-(7-chloro-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)acetate
IUPAC Name: methyl 2-(7-chloro-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)acetate
SYSTEMATIC NAME: methyl 2-(7-chloranyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)ethanoate
MOLECULAR FORMULA: C12H12ClNO3S
MOLECULAR WEIGHT: 285.74658
SMILES: COC(=O)CC1CC(=O)NC2=C(S1)C=CC(=C2)Cl
Structure:
CAS RN: 86628-26-4
CAS Name: 2-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)acetic acid methyl ester
OPENEYE Name: methyl 2-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)acetate
IUPAC Name: methyl 2-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)acetate
SYSTEMATIC NAME: methyl 2-(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)ethanoate
MOLECULAR FORMULA: C12H13NO3S
MOLECULAR WEIGHT: 251.30152
SMILES: COC(=O)CC1CC(=O)NC2=CC=CC=C2S1
Structure:
CAS RN: 86628-25-3
CAS Name: 2-(7-methyl-5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetic acid methyl ester
OPENEYE Name: methyl 2-(7-methyl-5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetate
IUPAC Name: methyl 2-(7-methyl-5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetate
SYSTEMATIC NAME: methyl 2-(7-methyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)ethanoate
MOLECULAR FORMULA: C13H15NO3S
MOLECULAR WEIGHT: 265.3281
SMILES: CC1=CC2=C(C=C1)SC(CNC2=O)CC(=O)OC
Structure:
CAS RN: 86628-24-2
CAS Name: 2-(7-chloro-5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetic acid methyl ester
OPENEYE Name: methyl 2-(7-chloro-5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetate
IUPAC Name: methyl 2-(7-chloro-5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetate
SYSTEMATIC NAME: methyl 2-(7-chloranyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)ethanoate
MOLECULAR FORMULA: C12H12ClNO3S
MOLECULAR WEIGHT: 285.74658
SMILES: COC(=O)CC1CNC(=O)C2=C(S1)C=CC(=C2)Cl
Structure:
CAS RN: 86628-23-1
CAS Name: 2-(5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetic acid methyl ester
OPENEYE Name: methyl 2-(5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetate
IUPAC Name: methyl 2-(5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetate
SYSTEMATIC NAME: methyl 2-(5-oxidanylidene-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)ethanoate
MOLECULAR FORMULA: C12H13NO3S
MOLECULAR WEIGHT: 251.30152
SMILES: COC(=O)CC1CNC(=O)C2=CC=CC=C2S1
Structure:
CAS RN: 86628-22-0
CAS Name: 2-(6-methyl-4-oxo-2,3-dihydro-1-benzothiopyran-2-yl)acetic acid methyl ester
OPENEYE Name: methyl 2-(6-methyl-4-oxo-thiochroman-2-yl)acetate
IUPAC Name: methyl 2-(6-methyl-4-oxo-2,3-dihydrothiochromen-2-yl)acetate
SYSTEMATIC NAME: methyl 2-(6-methyl-4-oxidanylidene-2,3-dihydrothiochromen-2-yl)ethanoate
MOLECULAR FORMULA: C13H14O3S
MOLECULAR WEIGHT: 250.31346
SMILES: CC1=CC2=C(C=C1)SC(CC2=O)CC(=O)OC
Structure:
CAS RN: 86628-21-9
CAS Name: 2-(6-chloro-4-oxo-2,3-dihydro-1-benzothiopyran-2-yl)acetic acid methyl ester
OPENEYE Name: methyl 2-(6-chloro-4-oxo-thiochroman-2-yl)acetate
IUPAC Name: methyl 2-(6-chloro-4-oxo-2,3-dihydrothiochromen-2-yl)acetate
SYSTEMATIC NAME: methyl 2-(6-chloranyl-4-oxidanylidene-2,3-dihydrothiochromen-2-yl)ethanoate
MOLECULAR FORMULA: C12H11ClO3S
MOLECULAR WEIGHT: 270.73194
SMILES: COC(=O)CC1CC(=O)C2=C(S1)C=CC(=C2)Cl
Structure:
CAS RN: 86628-20-8
CAS Name: 2-(4-oxo-2,3-dihydro-1-benzothiopyran-2-yl)acetic acid methyl ester
OPENEYE Name: methyl 2-(4-oxothiochroman-2-yl)acetate
IUPAC Name: methyl 2-(4-oxo-2,3-dihydrothiochromen-2-yl)acetate
SYSTEMATIC NAME: methyl 2-(4-oxidanylidene-2,3-dihydrothiochromen-2-yl)ethanoate
MOLECULAR FORMULA: C12H12O3S
MOLECULAR WEIGHT: 236.28688
SMILES: COC(=O)CC1CC(=O)C2=CC=CC=C2S1
Structure:
CAS RN: 86628-19-5
CAS Name: 2-(6-methyl-4-oxo-2,3-dihydro-1-benzothiopyran-2-yl)acetic acid
OPENEYE Name: 2-(6-methyl-4-oxo-thiochroman-2-yl)acetic acid
IUPAC Name: 2-(6-methyl-4-oxo-2,3-dihydrothiochromen-2-yl)acetic acid
SYSTEMATIC NAME: 2-(6-methyl-4-oxidanylidene-2,3-dihydrothiochromen-2-yl)ethanoic acid
MOLECULAR FORMULA: C12H12O3S
MOLECULAR WEIGHT: 236.28688
SMILES: CC1=CC2=C(C=C1)SC(CC2=O)CC(=O)O
Structure:
CAS RN: 86628-18-4
CAS Name: 2-(4-oxo-2,3-dihydro-1-benzothiopyran-2-yl)acetic acid
OPENEYE Name: 2-(4-oxothiochroman-2-yl)acetic acid
IUPAC Name: 2-(4-oxo-2,3-dihydrothiochromen-2-yl)acetic acid
SYSTEMATIC NAME: 2-(4-oxidanylidene-2,3-dihydrothiochromen-2-yl)ethanoic acid
MOLECULAR FORMULA: C11H10O3S
MOLECULAR WEIGHT: 222.2603
SMILES: C1C(SC2=CC=CC=C2C1=O)CC(=O)O
Structure:
CAS RN: 86627-71-6
CAS Name: N-(butoxythio)-N-methylcarbamic acid (3-propan-2-ylphenyl) ester
OPENEYE Name: (3-isopropylphenyl) N-butoxysulfanyl-N-methyl-carbamate
IUPAC Name: (3-propan-2-ylphenyl) N-butoxysulfanyl-N-methylcarbamate
SYSTEMATIC NAME: (3-propan-2-ylphenyl) N-butoxysulfanyl-N-methyl-carbamate
MOLECULAR FORMULA: C15H23NO3S
MOLECULAR WEIGHT: 297.41302
SMILES: CCCCOSN(C)C(=O)OC1=CC=CC(=C1)C(C)C
Structure:
CAS RN: 86626-13-3
CAS Name: 1-amino-3-[6-(dimethylamino)-9-purinyl]-2-propanol dihydrochloride
OPENEYE Name: 1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol dihydrochloride
IUPAC Name: 1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol dihydrochloride
SYSTEMATIC NAME: 1-azanyl-3-[6-(dimethylamino)purin-9-yl]propan-2-ol dihydrochloride
MOLECULAR FORMULA: C10H18Cl2N6O
MOLECULAR WEIGHT: 309.19552
SMILES: CN(C)C1=NC=NC2=C1N=CN2CC(CN)O.Cl.Cl
Structure:
CAS RN: 86617-12-1
CAS Name: (2S,4S)-6-(4-chlorophenoxy)-4-methyl-4-phenyl-1,3-benzodioxin-2-carboxylic acid methyl ester
OPENEYE Name: methyl (2S,4S)-6-(4-chlorophenoxy)-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate
IUPAC Name: methyl (2S,4S)-6-(4-chlorophenoxy)-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate
SYSTEMATIC NAME: methyl (2S,4S)-6-(4-chloranylphenoxy)-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate
MOLECULAR FORMULA: C23H19ClO5
MOLECULAR WEIGHT: 410.84696
SMILES: C[C@@]1(C2=C(C=CC(=C2)OC3=CC=C(C=C3)Cl)O[C@@H](O1)C(=O)OC)C4=CC=CC=C4
Structure:
CAS RN: 86617-11-0
CAS Name: (2S,4S)-6-methoxy-4-methyl-4-phenyl-1,3-benzodioxin-2-carboxylic acid methyl ester
OPENEYE Name: methyl (2S,4S)-6-methoxy-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate
IUPAC Name: methyl (2S,4S)-6-methoxy-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate
SYSTEMATIC NAME: methyl (2S,4S)-6-methoxy-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate
MOLECULAR FORMULA: C18H18O5
MOLECULAR WEIGHT: 314.33252
SMILES: C[C@@]1(C2=C(C=CC(=C2)OC)O[C@@H](O1)C(=O)OC)C3=CC=CC=C3
Structure:
CAS RN: 86617-10-9
CAS Name: (2S,4S)-4,6-dimethyl-4-phenyl-1,3-benzodioxin-2-carboxylic acid methyl ester
OPENEYE Name: methyl (2S,4S)-4,6-dimethyl-4-phenyl-1,3-benzodioxine-2-carboxylate
IUPAC Name: methyl (2S,4S)-4,6-dimethyl-4-phenyl-1,3-benzodioxine-2-carboxylate
SYSTEMATIC NAME: methyl (2S,4S)-4,6-dimethyl-4-phenyl-1,3-benzodioxine-2-carboxylate
MOLECULAR FORMULA: C18H18O4
MOLECULAR WEIGHT: 298.33312
SMILES: CC1=CC2=C(C=C1)O[C@@H](O[C@@]2(C)C3=CC=CC=C3)C(=O)OC
Structure:
CAS RN: 86617-09-6
CAS Name: (2S,4S)-6-fluoro-4-methyl-4-phenyl-1,3-benzodioxin-2-carboxylic acid methyl ester
OPENEYE Name: methyl (2S,4S)-6-fluoro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate
IUPAC Name: methyl (2S,4S)-6-fluoro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate
SYSTEMATIC NAME: methyl (2S,4S)-6-fluoranyl-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate
MOLECULAR FORMULA: C17H15FO4
MOLECULAR WEIGHT: 302.297003
SMILES: C[C@@]1(C2=C(C=CC(=C2)F)O[C@@H](O1)C(=O)OC)C3=CC=CC=C3
Structure:
CAS RN: 86617-08-5
CAS Name: (2S,4R)-6-chloro-4-methyl-4-thiophen-2-yl-1,3-benzodioxin-2-carboxylic acid methyl ester
OPENEYE Name: methyl (2S,4R)-6-chloro-4-methyl-4-(2-thienyl)-1,3-benzodioxine-2-carboxylate
IUPAC Name: methyl (2S,4R)-6-chloro-4-methyl-4-thiophen-2-yl-1,3-benzodioxine-2-carboxylate
SYSTEMATIC NAME: methyl (2S,4R)-6-chloranyl-4-methyl-4-thiophen-2-yl-1,3-benzodioxine-2-carboxylate
MOLECULAR FORMULA: C15H13ClO4S
MOLECULAR WEIGHT: 324.77932
SMILES: C[C@@]1(C2=C(C=CC(=C2)Cl)O[C@@H](O1)C(=O)OC)C3=CC=CS3
Structure:
CAS RN: 86617-05-2
CAS Name: (2S,4S)-6-chloro-4-ethenyl-4-phenyl-1,3-benzodioxin-2-carboxylic acid methyl ester
OPENEYE Name: methyl (2S,4S)-6-chloro-4-phenyl-4-vinyl-1,3-benzodioxine-2-carboxylate
IUPAC Name: methyl (2S,4S)-6-chloro-4-ethenyl-4-phenyl-1,3-benzodioxine-2-carboxylate
SYSTEMATIC NAME: methyl (2S,4S)-6-chloranyl-4-ethenyl-4-phenyl-1,3-benzodioxine-2-carboxylate
MOLECULAR FORMULA: C18H15ClO4
MOLECULAR WEIGHT: 330.7623
SMILES: COC(=O)[C@H]1OC2=C(C=C(C=C2)Cl)[C@](O1)(C=C)C3=CC=CC=C3
Structure:
CAS RN: 86617-00-7
CAS Name: (2S,4S)-6-chloro-4-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-benzodioxin-2-carboxylic acid methyl ester
OPENEYE Name: methyl (2S,4S)-6-chloro-4-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-benzodioxine-2-carboxylate
IUPAC Name: methyl (2S,4S)-6-chloro-4-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-benzodioxine-2-carboxylate
SYSTEMATIC NAME: methyl (2S,4S)-6-chloranyl-4-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-benzodioxine-2-carboxylate
MOLECULAR FORMULA: C18H14ClF3O4
MOLECULAR WEIGHT: 386.74957
SMILES: C[C@@]1(C2=C(C=CC(=C2)Cl)O[C@@H](O1)C(=O)OC)C3=CC(=CC=C3)C(F)(F)F
Structure:
CAS RN: 86616-99-1
CAS Name: (2S,4R)-6-chloro-4-(4-chlorophenyl)-4-methyl-1,3-benzodioxin-2-carboxylic acid methyl ester
OPENEYE Name: methyl (2S,4R)-6-chloro-4-(4-chlorophenyl)-4-methyl-1,3-benzodioxine-2-carboxylate
IUPAC Name: methyl (2S,4R)-6-chloro-4-(4-chlorophenyl)-4-methyl-1,3-benzodioxine-2-carboxylate
SYSTEMATIC NAME: methyl (2S,4R)-6-chloranyl-4-(4-chlorophenyl)-4-methyl-1,3-benzodioxine-2-carboxylate
MOLECULAR FORMULA: C17H14Cl2O4
MOLECULAR WEIGHT: 353.19666
SMILES: C[C@]1(C2=C(C=CC(=C2)Cl)O[C@@H](O1)C(=O)OC)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 86616-98-0
CAS Name: (2S,4R)-6-chloro-4-(3-chlorophenyl)-4-methyl-1,3-benzodioxin-2-carboxylic acid methyl ester
OPENEYE Name: methyl (2S,4R)-6-chloro-4-(3-chlorophenyl)-4-methyl-1,3-benzodioxine-2-carboxylate
IUPAC Name: methyl (2S,4R)-6-chloro-4-(3-chlorophenyl)-4-methyl-1,3-benzodioxine-2-carboxylate
SYSTEMATIC NAME: methyl (2S,4R)-6-chloranyl-4-(3-chlorophenyl)-4-methyl-1,3-benzodioxine-2-carboxylate
MOLECULAR FORMULA: C17H14Cl2O4
MOLECULAR WEIGHT: 353.19666
SMILES: C[C@]1(C2=C(C=CC(=C2)Cl)O[C@@H](O1)C(=O)OC)C3=CC(=CC=C3)Cl
Structure:
CAS RN: 86616-94-6
CAS Name: (2S,4R)-4-methyl-4-phenyl-1,3-benzodioxin-2-carboxylic acid
OPENEYE Name: (2S,4R)-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid
IUPAC Name: (2S,4R)-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid
SYSTEMATIC NAME: (2S,4R)-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid
MOLECULAR FORMULA: C16H14O4
MOLECULAR WEIGHT: 270.27996
SMILES: C[C@]1(C2=CC=CC=C2O[C@@H](O1)C(=O)O)C3=CC=CC=C3
Structure:
CAS RN: 86616-93-5
CAS Name: (2S,4S)-4-methyl-4-phenyl-1,3-benzodioxin-2-carboxylic acid
OPENEYE Name: (2S,4S)-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid
IUPAC Name: (2S,4S)-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid
SYSTEMATIC NAME: (2S,4S)-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid
MOLECULAR FORMULA: C16H14O4
MOLECULAR WEIGHT: 270.27996
SMILES: C[C@@]1(C2=CC=CC=C2O[C@@H](O1)C(=O)O)C3=CC=CC=C3
Structure:
CAS RN: 86616-87-7
CAS Name: (2S,4S)-6-chloro-4-methyl-4-phenyl-1,3-benzodioxin-2-carboxylic acid 2-(dimethylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(dimethylamino)ethyl (2S,4S)-6-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate hydrochloride
IUPAC Name: 2-(dimethylamino)ethyl (2S,4S)-6-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate hydrochloride
SYSTEMATIC NAME: 2-(dimethylamino)ethyl (2S,4S)-6-chloranyl-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate hydrochloride
MOLECULAR FORMULA: C20H23Cl2NO4
MOLECULAR WEIGHT: 412.30692
SMILES: C[C@@]1(C2=C(C=CC(=C2)Cl)O[C@@H](O1)C(=O)OCCN(C)C)C3=CC=CC=C3.Cl
Structure:
CAS RN: 86616-85-5
CAS Name: (2S,4S)-6-chloro-4-methyl-4-phenyl-1,3-benzodioxin-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl (2S,4S)-6-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate
IUPAC Name: ethyl (2S,4S)-6-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate
SYSTEMATIC NAME: ethyl (2S,4S)-6-chloranyl-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate
MOLECULAR FORMULA: C18H17ClO4
MOLECULAR WEIGHT: 332.77818
SMILES: CCOC(=O)[C@H]1OC2=C(C=C(C=C2)Cl)[C@](O1)(C)C3=CC=CC=C3
Structure:
CAS RN: 86614-51-9
CAS Name: 6-tert-butyl-2-methyl-2-phenyl-1,3,6,2-dioxazasilocane
OPENEYE Name: 6-tert-butyl-2-methyl-2-phenyl-1,3,6,2-dioxazasilocane
IUPAC Name: 6-tert-butyl-2-methyl-2-phenyl-1,3,6,2-dioxazasilocane
SYSTEMATIC NAME: 6-tert-butyl-2-methyl-2-phenyl-1,3,6,2-dioxazasilocane
MOLECULAR FORMULA: C15H25NO2Si
MOLECULAR WEIGHT: 279.45
SMILES: CC(C)(C)N1CCO[Si](OCC1)(C)C2=CC=CC=C2
Structure:
CAS RN: 86573-54-8
CAS Name: [[7-[[7-[[hydroxy-(3,4,5-trimethoxyphenyl)methyl]amino]-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]oxy]-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]amino]-(3,4,5-trimethoxyphenyl)methanol
OPENEYE Name: [[7-[[7-[[hydroxy-(3,4,5-trimethoxyphenyl)methyl]amino]-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]oxy]-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]amino]-(3,4,5-trimethoxyphenyl)methanol
IUPAC Name: [[7-[[7-[[hydroxy-(3,4,5-trimethoxyphenyl)methyl]amino]-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]oxy]-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]amino]-(3,4,5-trimethoxyphenyl)methanol
SYSTEMATIC NAME: [[7-[[7-[[oxidanyl-(3,4,5-trimethoxyphenyl)methyl]amino]-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]oxy]-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]amino]-(3,4,5-trimethoxyphenyl)methanol
MOLECULAR FORMULA: C34H36N2O9
MOLECULAR WEIGHT: 616.65764
SMILES: COC1=CC(=CC(=C1OC)OC)C(NC2(C3=CC=CC=C32)OC4(C5=CC=CC=C54)NC(C6=CC(=C(C(=C6)OC)OC)OC)O)O
Structure:
CAS RN: 86573-52-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H34N2O9
MOLECULAR WEIGHT: 614.64176
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(C3=CC=CC=C3OC4=CC=CC=C42)C(=O)C5=CC(=C(C(=C5)OC)OC)OC
Structure:
CAS RN: 86560-20-5
CAS Name: 1-[hydroxy-(2-methylphenyl)methyl]-2-methyl-4-oxaspiro[4.5]dec-1-en-3-one
OPENEYE Name: 1-[hydroxy(o-tolyl)methyl]-2-methyl-4-oxaspiro[4.5]dec-1-en-3-one
IUPAC Name: 1-[hydroxy-(2-methylphenyl)methyl]-2-methyl-4-oxaspiro[4.5]dec-1-en-3-one
SYSTEMATIC NAME: 2-methyl-1-[(2-methylphenyl)-oxidanyl-methyl]-4-oxaspiro[4.5]dec-1-en-3-one
MOLECULAR FORMULA: C18H22O3
MOLECULAR WEIGHT: 286.36548
SMILES: CC1=CC=CC=C1C(C2=C(C(=O)OC23CCCCC3)C)O
Structure:
CAS RN: 86560-19-2
CAS Name: 1-[hydroxy-(4-methylphenyl)methyl]-2-methyl-4-oxaspiro[4.5]dec-1-en-3-one
OPENEYE Name: 1-[hydroxy(p-tolyl)methyl]-2-methyl-4-oxaspiro[4.5]dec-1-en-3-one
IUPAC Name: 1-[hydroxy-(4-methylphenyl)methyl]-2-methyl-4-oxaspiro[4.5]dec-1-en-3-one
SYSTEMATIC NAME: 2-methyl-1-[(4-methylphenyl)-oxidanyl-methyl]-4-oxaspiro[4.5]dec-1-en-3-one
MOLECULAR FORMULA: C18H22O3
MOLECULAR WEIGHT: 286.36548
SMILES: CC1=CC=C(C=C1)C(C2=C(C(=O)OC23CCCCC3)C)O
Structure:
CAS RN: 86560-18-1
CAS Name: 1-[(4-bromophenyl)-hydroxymethyl]-2-methyl-4-oxaspiro[4.5]dec-1-en-3-one
OPENEYE Name: 1-[(4-bromophenyl)-hydroxy-methyl]-2-methyl-4-oxaspiro[4.5]dec-1-en-3-one
IUPAC Name: 1-[(4-bromophenyl)-hydroxymethyl]-2-methyl-4-oxaspiro[4.5]dec-1-en-3-one
SYSTEMATIC NAME: 1-[(4-bromophenyl)-oxidanyl-methyl]-2-methyl-4-oxaspiro[4.5]dec-1-en-3-one
MOLECULAR FORMULA: C17H19BrO3
MOLECULAR WEIGHT: 351.23496
SMILES: CC1=C(C2(CCCCC2)OC1=O)C(C3=CC=C(C=C3)Br)O
Structure:
CAS RN: 86560-17-0
CAS Name: 1-[(4-chlorophenyl)-hydroxymethyl]-2-methyl-4-oxaspiro[4.5]dec-1-en-3-one
OPENEYE Name: 1-[(4-chlorophenyl)-hydroxy-methyl]-2-methyl-4-oxaspiro[4.5]dec-1-en-3-one
IUPAC Name: 1-[(4-chlorophenyl)-hydroxymethyl]-2-methyl-4-oxaspiro[4.5]dec-1-en-3-one
SYSTEMATIC NAME: 1-[(4-chlorophenyl)-oxidanyl-methyl]-2-methyl-4-oxaspiro[4.5]dec-1-en-3-one
MOLECULAR FORMULA: C17H19ClO3
MOLECULAR WEIGHT: 306.78396
SMILES: CC1=C(C2(CCCCC2)OC1=O)C(C3=CC=C(C=C3)Cl)O
Structure:
No comments:
Post a Comment