CAS RN: 62327-34-8
CAS Name: sodium butanoate
OPENEYE Name: sodium butanoate
IUPAC Name: sodium butanoate
SYSTEMATIC NAME: sodium butanoate
MOLECULAR FORMULA: C4H7NaO2
MOLECULAR WEIGHT: 110.08695
SMILES: CCCC(=O)[O-].[Na+]
Structure:
CAS RN: 5586-80-1
CAS Name: 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester
OPENEYE Name: [2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 4-(2-thienylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate
IUPAC Name: [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
SYSTEMATIC NAME: [2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
MOLECULAR FORMULA: C27H24N4O5S
MOLECULAR WEIGHT: 516.56826
SMILES: CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=C3CCCC(=CC4=CC=CS4)C3=NC5=CC=CC=C52)N
Structure:
CAS RN: 37932-53-9
CAS Name: 3,6-bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
OPENEYE Name: 3,6-bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
IUPAC Name: 3,6-bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
SYSTEMATIC NAME: 3,6-bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
MOLECULAR FORMULA: C14H10N6O4
MOLECULAR WEIGHT: 326.267
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
Structure:
CAS RN: 5153-21-9
CAS Name: 3,6-bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
OPENEYE Name: 3,6-bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
IUPAC Name: 3,6-bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
SYSTEMATIC NAME: 3,6-bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
MOLECULAR FORMULA: C14H10N6O4
MOLECULAR WEIGHT: 326.267
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
Structure:
CAS RN: 5108-48-5
CAS Name: 1-[(3-ethoxyphenyl)-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid
OPENEYE Name: 1-[(3-ethoxyphenyl)-(2-pyridyl)methyl]piperidine-4-carboxylic acid
IUPAC Name: 1-[(3-ethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-[(3-ethoxyphenyl)-pyridin-2-yl-methyl]piperidine-4-carboxylic acid
MOLECULAR FORMULA: C20H24N2O3
MOLECULAR WEIGHT: 340.41616
SMILES: CCOC1=CC=CC(=C1)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O
Structure:
CAS RN: 5103-58-2
CAS Name: 1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]-4-piperidinecarboxylic acid
OPENEYE Name: 1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridyl)methyl]piperidine-4-carboxylic acid
IUPAC Name: 1-[(2,4-dichlorophenyl)-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-[(2,4-dichlorophenyl)-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid
MOLECULAR FORMULA: C19H20Cl2N2O2
MOLECULAR WEIGHT: 379.2803
SMILES: CC1=CN=C(C=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O
Structure:
CAS RN: 5874-65-7
CAS Name: 4-bromo-N-[1-[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]propyl]-N-(2-phenylethyl)benzamide
OPENEYE Name: 4-bromo-N-[1-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide
IUPAC Name: 4-bromo-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide
SYSTEMATIC NAME: 4-bromanyl-N-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide
MOLECULAR FORMULA: C34H32BrN3O3
MOLECULAR WEIGHT: 610.54018
SMILES: CCC(C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OCC)N(CCC4=CC=CC=C4)C(=O)C5=CC=C(C=C5)Br
Structure:
CAS RN: 5774-27-6
CAS Name: (1,1-diethoxypropan-2-ylideneamino)thiourea
OPENEYE Name: [(2,2-diethoxy-1-methyl-ethylidene)amino]thiourea
IUPAC Name: (1,1-diethoxypropan-2-ylideneamino)thiourea
SYSTEMATIC NAME: 1-(1,1-diethoxypropan-2-ylideneamino)thiourea
MOLECULAR FORMULA: C8H17N3O2S
MOLECULAR WEIGHT: 219.30448
SMILES: CCOC(C(=NNC(=S)N)C)OCC
Structure:
CAS RN: 60538-98-9
CAS Name: 6-methyl-2-phenyl-4-quinolinecarboxylate
OPENEYE Name: 6-methyl-2-phenyl-quinoline-4-carboxylate
IUPAC Name: 6-methyl-2-phenylquinoline-4-carboxylate
SYSTEMATIC NAME: 6-methyl-2-phenyl-quinoline-4-carboxylate
MOLECULAR FORMULA: C17H12NO2-
MOLECULAR WEIGHT: 262.28268
SMILES: CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=CC=C3
Structure:
CAS RN: 5609-01-8
CAS Name: 2-[[2-[cyclopropyl(oxo)methoxy]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[[2-(cyclopropanecarbonyloxy)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate
IUPAC Name: ethyl 2-[[2-(cyclopropanecarbonyloxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(2-cyclopropylcarbonyloxyethanoylamino)-4,5-dimethyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C15H19NO5S
MOLECULAR WEIGHT: 325.38006
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)C2CC2
Structure:
CAS RN: 5709-53-5
CAS Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethanone
OPENEYE Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone
IUPAC Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
SYSTEMATIC NAME: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone
MOLECULAR FORMULA: C30H28N4OS
MOLECULAR WEIGHT: 492.63452
SMILES: CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)C3=C(N(C(=C3)C)C4=CC=CC=C4)C)C5=CC=CC=C5)C
Structure:
CAS RN: 5910-82-7
CAS Name: N-(2-furanylmethyl)-2-[(4-methoxyphenyl)sulfonyl-propylamino]-N-(2-phenylethyl)acetamide
OPENEYE Name: N-(2-furylmethyl)-2-[(4-methoxyphenyl)sulfonyl-propyl-amino]-N-(2-phenylethyl)acetamide
IUPAC Name: N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-propylamino]-N-(2-phenylethyl)acetamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-propyl-amino]-N-(2-phenylethyl)ethanamide
MOLECULAR FORMULA: C25H30N2O5S
MOLECULAR WEIGHT: 470.5811
SMILES: CCCN(CC(=O)N(CCC1=CC=CC=C1)CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)OC
Structure:
CAS RN: 5910-21-4
CAS Name: N-(2-furanylmethyl)-2-[[oxo-[(phenylmethyl)amino]methyl]-propan-2-ylamino]-N-(2-phenylethyl)acetamide
OPENEYE Name: 2-[benzylcarbamoyl(isopropyl)amino]-N-(2-furylmethyl)-N-(2-phenylethyl)acetamide
IUPAC Name: 2-[benzylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(phenylmethyl)carbamoyl-propan-2-yl-amino]ethanamide
MOLECULAR FORMULA: C26H31N3O3
MOLECULAR WEIGHT: 433.54264
SMILES: CC(C)N(CC(=O)N(CCC1=CC=CC=C1)CC2=CC=CO2)C(=O)NCC3=CC=CC=C3
Structure:
CAS RN: 5906-53-6
CAS Name: 2-[[(tert-butylamino)-oxomethyl]-propylamino]-N-(2-methoxyethyl)-N-[(1-methyl-2-pyrrolyl)methyl]acetamide
OPENEYE Name: 2-[tert-butylcarbamoyl(propyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
IUPAC Name: 2-[tert-butylcarbamoyl(propyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SYSTEMATIC NAME: 2-[tert-butylcarbamoyl(propyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamide
MOLECULAR FORMULA: C19H34N4O3
MOLECULAR WEIGHT: 366.49826
SMILES: CCCN(CC(=O)N(CCOC)CC1=CC=CN1C)C(=O)NC(C)(C)C
Structure:
CAS RN: 5838-99-3
CAS Name: 5-(4-butylcyclohexyl)-2-(4-ethylphenyl)pyridine
OPENEYE Name: 5-(4-butylcyclohexyl)-2-(4-ethylphenyl)pyridine
IUPAC Name: 5-(4-butylcyclohexyl)-2-(4-ethylphenyl)pyridine
SYSTEMATIC NAME: 5-(4-butylcyclohexyl)-2-(4-ethylphenyl)pyridine
MOLECULAR FORMULA: C23H31N
MOLECULAR WEIGHT: 321.49894
SMILES: CCCCC1CCC(CC1)C2=CN=C(C=C2)C3=CC=C(C=C3)CC
Structure:
CAS RN: 6798-29-4
CAS Name: N-(3,4-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
OPENEYE Name: N-(3,4-dimethylphenyl)-2-fluoro-5-(p-tolylmethylsulfamoyl)benzamide
IUPAC Name: N-(3,4-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-2-fluoranyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide
MOLECULAR FORMULA: C23H23FN2O3S
MOLECULAR WEIGHT: 426.503723
SMILES: CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)C)C
Structure:
CAS RN: 5005-55-0
CAS Name: 1-[(2-methoxyphenyl)-(3-phenylmethoxyphenyl)methyl]piperazine
OPENEYE Name: 1-[(3-benzyloxyphenyl)-(2-methoxyphenyl)methyl]piperazine
IUPAC Name: 1-[(2-methoxyphenyl)-(3-phenylmethoxyphenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[(2-methoxyphenyl)-(3-phenylmethoxyphenyl)methyl]piperazine
MOLECULAR FORMULA: C25H28N2O2
MOLECULAR WEIGHT: 388.50202
SMILES: COC1=CC=CC=C1C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCNCC4
Structure:
CAS RN: 5000-03-3
CAS Name: 1-[1,3-benzodioxol-5-yl-(2-ethoxyphenyl)methyl]piperazine
OPENEYE Name: 1-[1,3-benzodioxol-5-yl-(2-ethoxyphenyl)methyl]piperazine
IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2-ethoxyphenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[1,3-benzodioxol-5-yl-(2-ethoxyphenyl)methyl]piperazine
MOLECULAR FORMULA: C20H24N2O3
MOLECULAR WEIGHT: 340.41616
SMILES: CCOC1=CC=CC=C1C(C2=CC3=C(C=C2)OCO3)N4CCNCC4
Structure:
CAS RN: 6180-95-6
CAS Name: 3,4,5-triethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methylthio]-1,3,4-thiadiazol-2-yl]benzamide
OPENEYE Name: 3,4,5-triethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
IUPAC Name: 3,4,5-triethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
SYSTEMATIC NAME: 3,4,5-triethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
MOLECULAR FORMULA: C23H24F3N3O4S2
MOLECULAR WEIGHT: 527.57957
SMILES: CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)C(F)(F)F
Structure:
CAS RN: 6411-53-6
CAS Name: 5-[(4-bromophenyl)methylidene]-2-[4-(3-chlorophenyl)-1-piperazinyl]-4-thiazolone
OPENEYE Name: 5-[(4-bromophenyl)methylene]-2-[4-(3-chlorophenyl)piperazin-1-yl]thiazol-4-one
IUPAC Name: 5-[(4-bromophenyl)methylidene]-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-one
SYSTEMATIC NAME: 5-[(4-bromophenyl)methylidene]-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-one
MOLECULAR FORMULA: C20H17BrClN3OS
MOLECULAR WEIGHT: 462.79048
SMILES: C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC(=O)C(=CC4=CC=C(C=C4)Br)S3
Structure:
CAS RN: 1629-20-5
CAS Name: N-(2-chlorophenyl)-2-fluorobenzenecarbothioamide
OPENEYE Name: N-(2-chlorophenyl)-2-fluoro-benzenecarbothioamide
IUPAC Name: N-(2-chlorophenyl)-2-fluorobenzenecarbothioamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2-fluoranyl-benzenecarbothioamide
MOLECULAR FORMULA: C13H9ClFNS
MOLECULAR WEIGHT: 265.733663
SMILES: C1=CC=C(C(=C1)C(=S)NC2=CC=CC=C2Cl)F
Structure:
CAS RN: 5137-79-1
CAS Name: 1-[(3-bromophenyl)-(2-ethoxyphenyl)methyl]-2-piperidinecarboxylic acid
OPENEYE Name: 1-[(3-bromophenyl)-(2-ethoxyphenyl)methyl]piperidine-2-carboxylic acid
IUPAC Name: 1-[(3-bromophenyl)-(2-ethoxyphenyl)methyl]piperidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[(3-bromophenyl)-(2-ethoxyphenyl)methyl]piperidine-2-carboxylic acid
MOLECULAR FORMULA: C21H24BrNO3
MOLECULAR WEIGHT: 418.32416
SMILES: CCOC1=CC=CC=C1C(C2=CC(=CC=C2)Br)N3CCCCC3C(=O)O
Structure:
CAS RN: 6041-46-9
CAS Name: 3-fluoro-N-(2-methoxyethyl)-N-[2-[(6-methyl-4-oxo-1-benzopyran-3-yl)methyl-(phenylmethyl)amino]-2-oxoethyl]benzamide
OPENEYE Name: N-[2-[benzyl-[(6-methyl-4-oxo-chromen-3-yl)methyl]amino]-2-oxo-ethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
IUPAC Name: N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
SYSTEMATIC NAME: 3-fluoranyl-N-(2-methoxyethyl)-N-[2-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]benzamide
MOLECULAR FORMULA: C30H29FN2O5
MOLECULAR WEIGHT: 516.560063
SMILES: CC1=CC2=C(C=C1)OC=C(C2=O)CN(CC3=CC=CC=C3)C(=O)CN(CCOC)C(=O)C4=CC(=CC=C4)F
Structure:
CAS RN: 6128-13-8
CAS Name: 3-(4-chlorophenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]thiourea
OPENEYE Name: 3-(4-chlorophenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]thiourea
IUPAC Name: 3-(4-chlorophenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]thiourea
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]thiourea
MOLECULAR FORMULA: C24H25ClN2O3S
MOLECULAR WEIGHT: 456.9849
SMILES: COC1=CC=C(C=C1)CN(CC2=C(C(=CC=C2)OC)OC)C(=S)NC3=CC=C(C=C3)Cl
Structure:
CAS RN: 6169-27-3
CAS Name: 6-chloro-4-[3-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
OPENEYE Name: 6-chloro-4-[3-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
IUPAC Name: 6-chloro-4-[3-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
SYSTEMATIC NAME: 6-chloranyl-4-[3-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
MOLECULAR FORMULA: C20H15ClF3NO2
MOLECULAR WEIGHT: 393.78681
SMILES: C1C=CC2C1C(NC3=C2C=C(C=C3Cl)C(=O)O)C4=CC(=CC=C4)C(F)(F)F
Structure:
CAS RN: 5134-18-9
CAS Name: N-(4-fluorophenyl)-2-[4-oxo-2-(prop-2-enylamino)-5-thiazolyl]acetamide
OPENEYE Name: 2-[2-(allylamino)-4-oxo-thiazol-5-yl]-N-(4-fluorophenyl)acetamide
IUPAC Name: N-(4-fluorophenyl)-2-[4-oxo-2-(prop-2-enylamino)-1,3-thiazol-5-yl]acetamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-2-[4-oxidanylidene-2-(prop-2-enylamino)-1,3-thiazol-5-yl]ethanamide
MOLECULAR FORMULA: C14H14FN3O2S
MOLECULAR WEIGHT: 307.343263
SMILES: C=CCNC1=NC(=O)C(S1)CC(=O)NC2=CC=C(C=C2)F
Structure:
CAS RN: 5097-66-5
CAS Name: 2-[5-ethyl-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid
OPENEYE Name: 2-[2-(4-benzyloxy-3-methoxy-phenyl)-5-ethyl-1H-indol-3-yl]acetic acid
IUPAC Name: 2-[5-ethyl-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[5-ethyl-2-(3-methoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid
MOLECULAR FORMULA: C26H25NO4
MOLECULAR WEIGHT: 415.481
SMILES: CCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC
Structure:
CAS RN: 5776-41-0
CAS Name: 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,2-dihydro-3,1-benzoxazine
OPENEYE Name: 2-(4-ethoxy-3-methoxy-phenyl)-4,4-diethyl-1,2-dihydro-3,1-benzoxazine
IUPAC Name: 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,2-dihydro-3,1-benzoxazine
SYSTEMATIC NAME: 2-(4-ethoxy-3-methoxy-phenyl)-4,4-diethyl-1,2-dihydro-3,1-benzoxazine
MOLECULAR FORMULA: C21H27NO3
MOLECULAR WEIGHT: 341.44398
SMILES: CCC1(C2=CC=CC=C2NC(O1)C3=CC(=C(C=C3)OCC)OC)CC
Structure:
CAS RN: 5771-50-6
CAS Name: 3,3,3-trifluoro-2-[[2-furanyl(oxo)methyl]amino]-2-[4-(trifluoromethoxy)anilino]propanoic acid methyl ester
OPENEYE Name: methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[4-(trifluoromethoxy)anilino]propanoate
IUPAC Name: methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[4-(trifluoromethoxy)anilino]propanoate
SYSTEMATIC NAME: methyl 3,3,3-tris(fluoranyl)-2-(furan-2-ylcarbonylamino)-2-[[4-(trifluoromethyloxy)phenyl]amino]propanoate
MOLECULAR FORMULA: C16H12F6N2O5
MOLECULAR WEIGHT: 426.267299
SMILES: COC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)OC(F)(F)F)NC(=O)C2=CC=CO2
Structure:
CAS RN: 5276-85-7
CAS Name: dimethyl-[2-oxo-2-(2-phenoxyethoxy)ethyl]-[3-oxo-3-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]propyl]ammonium
OPENEYE Name: dimethyl-[2-oxo-2-(2-phenoxyethoxy)ethyl]-[3-oxo-3-(1,7,7-trimethylnorbornan-2-yl)oxy-propyl]ammonium
IUPAC Name: dimethyl-[2-oxo-2-(2-phenoxyethoxy)ethyl]-[3-oxo-3-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]propyl]azanium
SYSTEMATIC NAME: dimethyl-[2-oxidanylidene-2-(2-phenoxyethoxy)ethyl]-[3-oxidanylidene-3-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]propyl]azanium
MOLECULAR FORMULA: C25H38NO5+
MOLECULAR WEIGHT: 432.57292
SMILES: CC1(C2CCC1(C(C2)OC(=O)CC[N+](C)(C)CC(=O)OCCOC3=CC=CC=C3)C)C
Structure:
CAS RN: 5416-61-5
CAS Name: N-(4-chlorophenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide
OPENEYE Name: N-(4-chlorophenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
IUPAC Name: N-(4-chlorophenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C26H25ClN4O2S
MOLECULAR WEIGHT: 493.0203
SMILES: CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)Cl)COC4=C(C=CC=C4C)C
Structure:
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